Amines, N'-[3-[(3-aminopropyl)amino]propyl]-N,N-di-C16-18-alkyltrimethylenedi-

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-08-17 to 2016-11-21

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)

Version / remarks:

Deviations from the Guideline
Since the test item is poorly extractable from soil, the indirect method was used for evaluations even if the mass balance was < 90%. Test item stability was verified by control samples. Samples were centrifuged < 3000 g because glass vessels had to be used. Higher centrifugation forces would have been destroyed these vials. For adsorption isotherm, no concentration range in the order of two magnitudes was feasible. With regard to the limit of quantification on the one hand and the solubility of the test item in the stock solution and therefore the maximal amount of solvent used for spiking on the other hand, the test concentrations were chosen. For the highest test item concentration, more than 0.1 vol-% organic solvent was used for spiking.

These deviations had no negative impact on the integrity and quality of the obtained data.

Deviations:

yes

Remarks:

see above at "Version / remarks"

Qualifier:

according to guideline

Guideline:

other: Council Regulation (EC) No. 440/2008, Method C.18 (2008)

GLP compliance:

yes (incl. QA statement)

Type of method:

batch equilibrium method

Media:

soil

Radiolabelling:

no

Test temperature:

Nominal: 20 ± 2 °C

Analytical monitoring:

yes

Details on sampling:

CaCl2-solution Deionised water was used to prepare the CaCl2-solution (0.01 M).

Soil / Solution ratio Tier 1: 1:50 and 1:100
Tier 2 and Tier 3: 1:100

Agitation By overhead shaker or horizontal shaker. Frequency was adjusted to avoid sedimentation of soil particles during treatment.

Test Procedure

Test vessels 120 mL disposable glass bottles with aluminium tops with PTFE seals

Concentration for Tier 1: 3.0 mg/L, 6.0 mg/L, 10 mg/L
adsorption / desorption experiments Tier 2: 6.0 mg/L
Tier 3: 2.67 mg/L – 4.00 mg/L – 9.00 mg/L – 13.5 mg/L

Stock solutions Stock solutions of 3 g/L and 10 g/L of TETRAMEEN 2HT in 50 mL 2-propanol were prepared after homogenization of the test item at 40 °C and with ultrasound. For additional test concentrations, solutions of 2.67 g/L, 4 g/L, 6 g/L and 9 g/L were prepared from stock solutions. At the most 0.1 volume-% (0.1 mL) of these stock solutions, related to the volume of the aqueous phase in the soil suspensions, were used for spiking except for the highest concentration. For the concentration 13.5 mg/L, 0.135 volume-% (0.135 mL) was used.

Dispersion treatment Agitation


Preparation

Soil samples(conditioning) The soils were weighed into the test vessels and an appropriate volume of 0.01 M CaCl2-solution was added. After agitation overnight (12 h minimum), the samples were used for adsorption experiments.

Samples for adsorption experiments The soil samples were conditioned as described above. At the most 0.1 volume-% (0.1 mL) of the stock solutions, related to the volume of the aqueous phase in the soil suspensions was added in order to adjust the test concentrations except for the highest concentration. For the concentration 13.5 mg/L, 0.135 volume-% (0.135 mL) was used. Afterwards, the samples were agitated.

Samples for desorption experiments Samples were prepared as described above and were agitated until adsorption is completed. Afterwards, the test vessels were centrifuged, weighed (to quantify the remaining porewater) and the supernatant was replaced by fresh 0.01 M CaCl2-solution. Then the test vessels were agitated again to investigate the desorption behavior of the test item.

Samples for analysis The soil suspensions were centrifuged after agitation at 3000 rpm (2508g) to separate the phases, followed by analysing the concentration of TETRAMEEN 2HT in aqueous phase by LC-MS/MS. For analysis of the soil, the aqueous phase was decanted and the soil was extracted. Extracts were also analysed by LC-MS/MS. During Tier 2 and Tier 3, Test vessels were extracted / rinsed with organic solvent to determine test vessel adsorption. Extracts were also analysed by LC-MS/MS.

Replicates All samples were prepared in duplicate.

Controls, Blanks

CONTROLS CaCl2-solution was conditioned as described above, followed by separation of the aqueous phase by centrifugation. Then the aqueous phase was fortified acc. to the concentrations used for the test item samples and agitated as long as the test item sample with the longest agitation period.

Replicates Duplicates


BLANK Blank samples were prepared for all soils as described for the test item samples but without fortification with the test item. The samples were agitated as long as the samples with the longest agitation period.

Replicates Duplicates (Tier 1), single (Tier 2 and Tier 3)

Sample Preparation

Dilution media 1. Acetonitrile / 0.01 M CaCl2 (50:50) + 1% formic acid
2. 2-Propanol / 0.01 M CaCl2 (50:50) + 1% formic acid

Standards Stock solutions of 3 g/L and 10 g/L of TETRAMEEN 2HT in 50 mL 2-propanol were prepared after homogenization of the test item at 40 °C. The solutions were homogenized in an ultrasonic bath and were diluted to calibration standards.

Tier 1: 7 calibration standards in the range of 5 to 50 µg/L were prepared using dilution medium 1.

Tier 2 and Tier 3: 7 calibration standards in the range of 5 to 50 µg/L were prepared using dilution medium 2.

Aqueous phase
Tier 1: Suspensions (test item replicates and blanks) were centrifuged at 3000 rpm for 5 min. An aliquot of each aqueous sample was stabilized by dilution with acetonitrile containing 2% formic acid (factor 2). Samples were diluted to calibration range with dilution medium 1.

Tier 2 and Tier 3: Suspensions (test item replicates and blanks) were centrifuged at 3000 rpm for 5 min. An aliquot of each aqueous sample was stabilized by dilution with 2-propanol containing 2% formic acid (factor 2). Samples were diluted to calibration range with dilution medium 2.

Test vessel adsorption
Tier 1: After sampling of the aqueous phase, the test vessels were emptied and rinsed with 0.01 M CaCl2. Organic solvent (Acetonitrile containing 2% formic acid or 2-propanol containing 1% formic acid) was used for extraction of the test item from the test vessel. Therefore, the vessel was shaken by hand for 1 min, ultrasound was used for 5 min and the vessel was shaken 20 min on a shaker. Samples were diluted with 0.01 M CaCl2 (factor 2) and further diluted with dilution medium 1 to calibration range, if necessary.

Tier 2 and 3: After sampling of the aqueous phase, the test vessels were emptied and rinsed with 0.01 M CaCl2. Organic solvent (2-propanol containing 2% formic acid) was used for extraction of the test item from the test vessel. Therefore, the vessel was shaken by hand for 1 min, ultrasound was used for 5 min and the vessel was shaken 20 min on a shaker. 0.01 M CaCl2 was used if dilution factor 2 was needed, dilution medium 2 for further dilutions to calibration range.

Soil extraction (Tier1)
After decantation of the aqueous phase, the soil was used for extraction. The test item was poorly extractable from soil. Different methods of extraction were investigated. Since the best extraction was achieved using accelerated solvent extraction (ASE), only the ASE method is reported.

After removal of the aqueous phase, the soil was dried in a drying cabinet to be removable from the test vessels. The soil was weighed into a solvent extractor cell. To each sample, 2 g magnesium chloride hexahydrate and 4 g silica gel were added and homogenised carefully with the soil. Glass beads were used as spacing material in the extractor cells. Then, the samples were extracted with methanol : 2-propanol (50 : 50). For parameters of the extraction method see below. Extracts were transferred quantitatively in a 100 mL measuring flask and filled up with methanol : 2-propanol (50 : 50). 0.01 M CaCl2 was used if dilution factor 2 was needed, dilution medium 2 for further dilutions to calibration range.

Parameters of the extraction method
Preheat: 5 min
Heat: 6 min
Static: 5 min
Flush: 50 % (v/v)
Purge: 90 sec
Cycles: 3
Pressure: 100 bar
Temperature:125 °C
Solvent: methanol : 2-propanol (50 : 50)

Samples for method validation
Samples were prepared as described above. The aqueous phases were decanted and spiked with test item at 1 x LOQ level and 10 x LOQ level. Blank samples were prepared accordingly but without spiking with test item. Samples of 1 x LOQ level and blank samples were diluted with 2-propanol containing 2% formic acid (factor 2), samples of 10 x LOQ were diluted with 2-propanol containing 2% formic acid by factor 2 and further diluted with dilution medium 2.

Matrix no.:

#1

Matrix type:

other: Dystric Cambisoil

% Clay:

16.5

% Silt:

33

% Sand:

50.5

% Org. carbon:

3.56

pH:

5.7

CEC:

8.2 meq/100 g soil d.w.

Matrix no.:

#2

Matrix type:

other: Silty sand

% Clay:

4.8

% Silt:

13.3

% Sand:

81.9

% Org. carbon:

0.741

pH:

5.9

CEC:

2 meq/100 g soil d.w.

Matrix no.:

#3

Matrix type:

loamy sand

% Clay:

7.7

% Silt:

12.7

% Sand:

79.6

% Org. carbon:

1.93

pH:

6.3

CEC:

7.2 meq/100 g soil d.w.

Matrix no.:

#4

Matrix type:

other: Silty sand

% Clay:

9.8

% Silt:

29.3

% Sand:

61

% Org. carbon:

0.617

pH:

6.4

CEC:

5.4 meq/100 g soil d.w.

Matrix no.:

#5

Matrix type:

clay loam

% Clay:

27.6

% Silt:

43.3

% Sand:

29.1

% Org. carbon:

2.07

pH:

7.5

CEC:

24 meq/100 g soil d.w.

Details on matrix:

Relevant Characteristics of Test Matrices
Soils Eurosoil 3 LUFA 2.1 LUFA 2.2 LUFA 2.3 LUFA 2.4
FAO soil unit (Eurosoils) 1)/
Soil Type (LUFA Soils) 2) Dystric Cambisol Silty sand Loamy sand Silty sand Clayey loam
pH (0.01 M CaCl2) 4) 5.7 5.9 6.3 6.4 7.5
Organic Carbon [%] 3) 3.56 0.741 1.93 0.617 2.07
Clay (<0.002 mm) [%] 3) 16.5 4.8 7.7 9.8 27.6
Silt (0.002-0.063 mm) [%] 3) 33.0 13.3 12.7 29.3 43.3
Sand (0.063-2 mm) [%] 3) 50.5 81.9 79.6 61.0 29.1
Cation Exchange Capacity [mval/100g] 3) 8.2 2.0 7.2 5.4 24
1) source: Eurosoils II- Laboratory Reference for Soil-related Studies by B. M. Gawlik and H. Muntau
2) according to German DIN
3) determined at AGROLAB AGRAR UND UMWELT GMBH (non-GLP) for soils used during Tier 2 and Tier 3
4) data determined during the course of the study


Origin of soils European Commission, Joint Research Centre,
INSTITUTE FOR REFERENCE MATERIALS AND MEASUREMENTS IRMM
Retieseweg, B-2440 Geel, Belgium

LANDWIRTSCHAFTLICHE UNTERSUCHUNGS- UND FORSCHUNGSANSTALT LUFA SPEYER,
Obere Langgasse 40, 67346 Speyer, Germany

Storage at test facility Eurosoils: Room temperature, in brown glass bottles
LUFA soils: Room temperature, in closed containers

Expiry date Eurosoil 3 (batch: IRMM-443-3 No.: 0119): 2021-10-06
LUFA 2.1 (batch: Sp2.1 2016): 2021-05-30
LUFA 2.2 (batch: F2.2 2116): 2021-06-13
LUFA 2.3 (batch: F2.3 1916): 2021-05-19
LUFA 2.4 (batch: F2.4 1016): 2021-03-21

Key result

Sample No.:

#6

Type:

Kd

Remarks:

Mean Kd value for 5 different soils

Value:

3 986 L/kg

Temp.:

20 °C

Matrix:

Mean Kd value for 5 different soils

% Org. carbon:

0

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Sample No.:

#1

Type:

Kd

Remarks:

Mean value from three main constituents of test item

Value:

2 590 L/kg

pH:

5.7

Temp.:

20 °C

Matrix:

Eurosoil 3: Dystric Cambisol

% Org. carbon:

3.56

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Sample No.:

#2

Type:

Kd

Remarks:

Mean value from three main constituents of test item

Value:

372 L/kg

pH:

5.863

Temp.:

20 °C

Matrix:

LUFA 2.1: Silty sand

% Org. carbon:

0.741

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Sample No.:

#3

Type:

Kd

Remarks:

Mean value from three main constituents of test item

Value:

371 L/kg

pH:

6.322

Temp.:

20 °C

Matrix:

LUFA 2.2: Loamy sand

% Org. carbon:

1.93

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Sample No.:

#4

Type:

Kd

Remarks:

Mean value from three main constituents of test item

Value:

3 026 L/kg

pH:

6.395

Temp.:

20 °C

Matrix:

LUFA 2.3: Silty sand

% Org. carbon:

0.617

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Sample No.:

#5

Type:

Kd

Remarks:

Mean value from three main constituents of test item

Value:

13 572 L/kg

pH:

7.527

Temp.:

20 °C

Matrix:

LUFA 2.4: Clay loam

% Org. carbon:

2.07

Remarks on result:

other: Cationic surfactant sorption is governed by ionic interaction. Sorption should not be normalized to OC content!

Temperature

The temperature was in the range of 20 ± 2 °C during the course of the study.

Soil Dry Weights

The soil dry weight of each soil type used was determined.

 

Soil Dry Weights

Mean values (n = 3)

	Soil
	Eurosoil 3	LUFA 2.1	LUFA 2.2	LUFA 2.3	LUFA 2.4
soil dry weight [%]	97.4	99.6	97.1	97.5	96.2

pH Values

The pH values of the aqueous media of the test systems were measured before and after equilibration with the corresponding soils, after addition of the test item and after desorption in the highest test item concentration. Results are shown in the following table.

pH Values of the Aqueous Medium

Soil / Solution Ratio 1:100

	Soils
	Eurosoil 3	LUFA 2.1		LUFA 2.2	LUFA 2.3		LUFA 2.4
0.01 M CaCl2	6.789		6.299	7.703	6.557	6.468
after soil contact	5.700	5.863		6.322	6.395		7.527
after addition of the test item	6.162	6.594		6.552	6.612		7.860
after desorption	6.123	6.115		6.464	6.511		7.231

 

Tier 1–Adsorption / Desorption

LUFA 2.2 and LUFA 2.4 were used for preliminary investigations on the adsorption behavior of the test item with soil / solution ratios of 1:50 and 1:100 at a concentration of 3.0 mg/L. An adsorption of > 98% was obtained after an agitation phase of 24 h. For LUFA 2.4, measured concentrations were below the lowest calibration level (5 µg test item/L). Therefore, for this soil additional experiments have been performed with a soil / solution ratio 1:100 and test item concentrations of 6 mg/L and 10 mg/L.

Strong adsorption was determined for both soils. The equilibrium of the adsorption was reached after 4 h. Test item control samples (samples without soil) showed good recoveries but showed that test vessel adsorption had to be taken into account for all calculations during Tier 2 and Tier 3. Concentrations and sampling points forTier 2 have been assigned based on results in the following tables. Detailed data are shown in part12 of the attached full study report.

Tier 1:LUFA 2.4 – Soil / Solution Ratios 1:100 and 1:50

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	24	100^1)	100^1)	100^1)
1:50	3.0	24	100^1)	100^1)	100^1)
1:100	6.0	1	99	99	99
		4	99	99	99
		24	99	99	99
1:100	10	1	98	98	98
		4	98	98	98
		24	98	98	98

1)                     = measured value for aqueous phase below lowest calibration level

Tier 1:LUFA 2.2 – Soil / Solution Ratios 1:100 and 1:50

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	1	99	99	99
		4	100	99	99
		24	99	99	98
1:50	3.0	1	100	100	100
		4	100	100	99
		24	99	99	99

 

Tier 1– Test Vessel Adsorption

The test item adsorption to the test vessel was determined in Tier 1 samples for test item replicates and controls with the longest agitation period. Results for test item replicates are shown in the first two tables below. Results for control samples are shown in the 3rd and 4th table below. Since significant adsorption was determined, test vessels had to be extracted during Tier 2 and Tier 3 for all adsorption samples and the determined test vessel adsorption had to be taken into account for the respective calculations. Details of the measurements are shown in part12 of the attached full study report.

Tier 1:LUFA 2.4 – Test Vessel Adsorption

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	24	0.3	0.4	1.1
1:50	3.0	24	0	0	0
1:100	6.0	24	0.5	0.5	1.1
1:100	10	24	0.9	0.9	0.7

 

Tier 1:LUFA 2.2 – Test Vessel Adsorption

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	24	0.3	0.4	0.7
1:50	3.0	24	1.3	0.4	1.4

 

Tier 1:LUFA 2.4 – Test Vessel Adsorption – Control Samples

                        0.01 M CaCl₂solution was conditioned with LUFA 2.4

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	24	5	6	9
1:50	3.0	24	3	3	7
1:100	6.0	24	12	14	15
1:100	10	24	5	5	5

 

 

Tier 1:LUFA 2.2 – Test Vessel Adsorption – Control Samples

0.01 M CaCl₂solution was conditioned with LUFA 2.2

Soil / Solution Ratio	Applied concentration, test item [mg/L]	Sampling point [h]	Adsorption C18C18 Compound [%]	Adsorption C18C16 Compound [%]	Adsorption C16C16 Compound [%]
1:100	3.0	24	16	18	23
1:50	3.0	24	12	12	21

Tier 1– Extraction from Soil / Mass Balance

Different solvents have been tested for soil extraction, e.g. 2-propanol containing 1 % formic acid and acetonitrile containing formic acid. The best result was obtained by using accelerated solvent extractor.. Recovery rates of 9% to 21% of the nominal concentration for the analytes from LUFA 2.2 and 5% to 23% from LUFA 2.4 were obtained. Since the test item is poorly extractable from soil, the mass balance was < 90%. Test item stability was verified by control samples, which showed good recoveries throughout the adsorption experiments.

 

Tier 2 – Adsorption Kinetics

The determination for adsorption kinetics was performed with a nominal test item concentration of 6.0 mg/L. A soil / solution ratio of 1:100 was used and concentrations of the test item were measured in aqueous phase and in extracts of the test vessels at defined sampling points. The following tables show the percentage of adsorption at equilibrium, the time needed to reach the adsorption equilibrium as well as the obtained distribution coefficients K_d and their corresponding organic carbon normalized distribution coefficients K_OC. The test item shows high adsorption within a few hours to all tested soils. Results are shown in the tables below. Details of the measurements are shown in part12 of the attached full study report. Measured values were partly below LOQ for LUFA 2.4, but since the values were above the lowest calibration standard, quantification was possible.

 

Equilibrium Time, Measured Amounts in Aqueous Phase and Soil Extracts, Percent of Adsorption and Distribution CoefficientsK_d,K_OCfor
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:172 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^adsaq(eq) [µg]	m^adss(eq) [µg]	Kd[mL/g]	%OC	KOC[mL/g]	Adsorption [%]
Eurosoil 3	2	0.974	5.61	166	3039	3.56	85362	96.7
LUFA 2.1	2	0.996	33.0	139	421	0.741	56827	80.7
LUFA 2.2	2	0.971	33.0	139	433	1.93	22413	80.8
LUFA 2.3	2	0.975	4.84	167	3535	0.617	572935	97.2
LUFA 2.4	2	0.962	1.20	170	14798	2.07	714857	99.3

V_aq            =used volume of aqueous phase

t_eq              =time to reach equilibrium

m_soil          =used amount of soil (dry weight)

m^ads_aq        =amount of a.i. in the aqueous phase at equilibrium

m^ads_s          =amount of a.i. in the soil at equilibrium

%OC         =percentage of organic carbon content in the soil

 

 

Equilibrium Time, Measured Amounts in Aqueous Phase and Soil Extracts, Percent of Adsorption and Distribution CoefficientsK_d,K_OCfor
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:145 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^adsaq(eq) [µg]	m^adss(eq) [µg]	Kd[mL/g]	%OC	KOC[mL/g]	Adsorption [%]
Eurosoil 3	2	0.974	4.94	140	2901	3.56	81489	96.6
LUFA 2.1	2	0.996	29.6	115	391	0.741	52730	79.6
LUFA 2.2	2	0.971	28.4	116	421	1.93	21792	80.3
LUFA 2.3	2	0.975	4.08	141	3534	0.617	572766	97.2
LUFA 2.4	2	0.962	1.01	144	14755	2.07	712792	99.3

V_aq            =used volume of aqueous phase

t_eq              =time to reach equilibrium

m_soil          =used amount of soil (dry weight)

m^ads_aq        =amount of a.i. in the aqueous phase at equilibrium

m^ads_s          =amount of a.i. in the soil at equilibrium

%OC         =percentage of organic carbon content in the soil

 

 

Equilibrium Time, Measured Amounts in Aqueous Phase and Soil Extracts, Percent of Adsorption and Distribution CoefficientsK_d,K_OCfor
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:40.8 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^adsaq(eq) [µg]	m^adss(eq) [µg]	Kd[mL/g]	%OC	KOC[mL/g]	Adsorption [%]
Eurosoil 3	2	0.974	2.17	38.6	1831	3.56	51441	94.7
LUFA 2.1	2	0.996	10.1	30.7	303	0.741	40927	75.1
LUFA 2.2	2	0.971	11.6	29.2	261	1.93	13508	71.7
LUFA 2.3	2	0.975	1.98	38.8	2010	0.617	325843	95.1
LUFA 2.4	2	0.962	0.376	40.4	11162	2.07	539238	99.1

V_aq            =used volume of aqueous phase

t_eq              =time to reach equilibrium

m_soil          =used amount of soil (dry weight)

m^ads_aq        =amount of a.i. in the aqueous phase at equilibrium

m^ads_s          =amount of a.i. in the soil at equilibrium

%OC         =percentage of organic carbon content in the soil

 

 

Tier 3– Desorption Kinetics

The desorption behavior of the test item was determined over a period of 24 h after 2 h adsorption with the desorption equilibrium after 24 h. The following tables show the desorption coefficient K_des. Since the desorption coefficient is higher than the adsorption coefficient K_d, the test item adsorption is assumed to be not completely reversible. Nevertheless, it is noteworthy that by measuring the concentrations of the analytes in the aqueous phase, desorption from soil and desorption from the test vessel are not distinguishable.Details of the measurements are shown in part12 of the attached full study report. Measured values were partly below LOQ for LUFA 2.3 and LUFA 2.4, but since the values were above the lowest calibration standard, quantification was possible.

 

Percent of Desorption and Desorption CoefficientK_des for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:172 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^desaq(eq) [µg]	m^adss(eq) [µg]	Kdes[mL/g]	Desorption [%]
Eurosoil 3	24	0.974	5.29	170	3192	3.1
LUFA 2.1	24	0.996	9.93	154	1458	6.4
LUFA 2.2	24	0.971	18.7	160	778	11.7
LUFA 2.3	24	0.975	2.33	171	7420	1.4
LUFA 2.4	24	0.962	1.04	171	17009	0.6

V_aq            =used volume of aqueous phase

t_eq              =time to reach equilibrium

m_soil          =used amount of soil (dry weight)

m^des_aq        =amount a.i. measured in the aqueous phase after desorption step

(entrained water taken into account)

m^ads_s          =amount of a.i. to soil at equilibrium

 

Percent of Desorption and Desorption CoefficientK_des for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:145 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^desaq(eq) [µg]	m^adss(eq) [µg]	Kdes[mL/g]	Desorption [%]
Eurosoil 3	24	0.974	4.41	143	3227	3.1
LUFA 2.1	24	0.996	8.55	129	1418	6.6
LUFA 2.2	24	0.971	16.5	134	732	12.3
LUFA 2.3	24	0.975	1.86	144	7803	1.3
LUFA 2.4	24	0.962	0.859	144	17342	0.6

 

Percent of Desorption and Desorption CoefficientK_des for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine

Applied concentration, test item:          6.0 mg/L

Applied amount, test item:                     600 µg

Applied amount, a.i.:40.8 µg

n = 2; soil / solution ratio: 1:100

V_aq= 100 mL

Soil Type	teq[h]	msoil[g]	m^desaq(eq) [µg]	m^adss(eq) [µg]	Kdes[mL/g]	Desorption [%]
Eurosoil 3	24	0.974	1.37	40.3	2930	3.4
LUFA 2.1	24	0.996	2.66	36.1	1265	7.4
LUFA 2.2	24	0.971	5.58	37.6	592	14.8
LUFA 2.3	24	0.975	0.530	40.5	7724	1.3
LUFA 2.4	24	0.962	0.272	40.6	15445	0.7

V_aq            =used volume of aqueous phase

t_eq              =time to reach equilibrium

m_soil          =used amount of soil (dry weight)

m^des_aq        =amount a.i. measured in the aqueous phase after desorption step

(entrained water taken into account)

m^ads_s          =amount of a.i. to soil at equilibrium

 

Tier 3 – Adsorption Isotherms

The adsorption isotherm was determined with additional concentrations of 2.67 mg/L, 4.00 mg/L, 9.00 mg/L and 13.5 mg/L after adsorption for 2 h. With regard to the limit of quantification on the one hand and the solubility of the test item in the stock solution and therefore the maximal amount of solvent used for spiking on the other hand, the test concentrations were chosen. Although it was not feasible to set the concentration range over two orders of magnitude, it is obvious that adsorption and concentration do not show a linear correlation. This was also investigated for comparable substances (surfactants) in earlier studies (info provided by the sponsor). For the C16C16 compound 1/n) > 1 (regression constant was determined. A 1/n > 1 relates to an S-type of Freundlich relation which can be explained by double layers of surfactants on sorbent.The tables below show the Freundlich adsorption coefficient K_d and the organic carbon normalized Freundlich adsorption coefficient K^OC_F.Detailed data are shown in part12 of the attached full study report.

Measured values were partly below LOQ and even below lowest calibration level for Eurosoil 3 and LUFA 2.4, but since the values were detectable, measured values were taken into account as measured.

 

Freundlich Adsorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:         2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                          267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                    76.4, 114, 172, 257, 386

Soil Type	msoil[g]	R^2	1/n	%OC	K^adsF	K^OCF
Eurosoil 3	0.974	0.9325	0.4393	3.56	623	17500
LUFA 2.1	0.996	0.9548	0.651	0.741	315	42499
LUFA 2.2	0.971	0.7274	0.8462	1.93	533	27640
LUFA 2.3	0.975	0.9954	0.491	0.617	664	107650
LUFA 2.4	0.962	0.9543	0.825	2.07	7667	370365

m_soil    =      used amount of soil (dry weight) [g]

n         =      regression constant

%OC   =      percentage of organic carbon content in the soil

K^ads_F    =      Freundlich adsorption coefficient [µg^1-1/n(mL)^1/ng^-1]

K^OC_F     =      Freundlich adsorption coefficient normalized to content of organic carbon [µg^1-1/n(mL)^1/ng^-1]

 

 

Freundlich Adsorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:     2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                       267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                 64.3, 96.4, 145 217, 325

Soil Type	msoil[g]	R^2	1/n	%OC	K^adsF	K^OCF
Eurosoil 3	0.974	0.9289	0.4257	3.56	533	14964
LUFA 2.1	0.996	0.9420	0.6601	0.741	292	39426
LUFA 2.2	0.971	0.7377	0.9271	1.93	556	29312
LUFA 2.3	0.975	0.9798	0.4729	0.617	589	95503
LUFA 2.4	0.962	0.9512	0.8065	2.07	6794	328193

 

Freundlich Adsorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:     2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                       267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                 18.2, 27.2, 40.8, 61.2, 91.8

Soil Type	msoil[g]	R^2	1/n	%OC	K^adsF	K^OCF
Eurosoil 3	0.974	0.9571	0.4075	3.56	206	5783
LUFA 2.1	0.996	0.938	0.6946	0.741	174	23420
LUFA 2.2	0.971	0.778	1.2495	1.93	684	35428
LUFA 2.3	0.975	0.9947	0.4649	0.617	229	37061
LUFA 2.4	0.962	0.9681	0.8005	2.07	4229	204282

m_soil    =      used amount of soil (dry weight) [g]

n         =      regression constant

%OC   =      percentage of organic carbon content in the soil

K^ads_F    =      Freundlich adsorption coefficient [µg^1-1/n(mL)^1/ng^-1]

K^OC_F     =      Freundlich adsorption coefficient normalized to content of organic carbon [µg^1-1/n(mL)^1/ng^-1]

 

Tier 3– Desorption Isotherms

The desorption isotherm was determined with additional concentrations of 2.67 mg/L, 4.00 mg/L, 9.00 mg/L and 13.5 mg/L after adsorption for 2 h and desorption for 24 h. The desorption and the concentration of the test item do not show a linear correlation. This is presumably attributed to the fact that desorption from soil and desorption from test vessel are not distinguishable. The following tables summarize the obtained data.Detailed data are shown in part12 of the attached full study report.

Measured values were partly below LOQ and even below lowest calibration level for LUFA 2.3 and LUFA 2.4, but since the values were detectable, measured values were taken into account as measured.

 

Freundlich Desorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:         2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                          267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                    76.4, 114, 172, 257, 386

Soil Type	msoil[g]	R^2	1/n	K^desF
Eurosoil 3	0.974	0.7831	1.1614	8279
LUFA 2.1	0.996	0.7138	1.0517	1577
LUFA 2.2	0.971	0.8799	0.8238	778
LUFA 2.3	0.975	0.7771	0.9441	9940
LUFA 2.4	0.962	0.9842	1.0322	19311

m_soil    =      used amount of soil (dry weight) [g]

n         =      regression constant

K^des_F    =      Freundlich desorption coefficient [µg^1-1/n(mL)^1/ng^-1]

 

 

Freundlich Desorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:     2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                       267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                 64.3, 96.4, 145 217, 325

Soil Type	msoil[g]	R^2	1/n	K^desF
Eurosoil 3	0.974	0.8679	1.2932	12025
LUFA 2.1	0.996	0.674	1.0546	1547
LUFA 2.2	0.971	0.8750	0.8603	743
LUFA 2.3	0.975	0.8376	0.9463	9732
LUFA 2.4	0.962	0.9879	1.0095	17865

 

Freundlich Desorption for
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine

Applied concentrations, test item [mg/L]:     2.67, 4.00, 6.00, 9.00, 13.5

Applied amount, test item [µg]:                       267, 400, 600, 900, 1350

Applied amount, a.i. [µg]:                                 18.2, 27.2, 40.8, 61.2, 91.8

Soil Type	msoil[g]	R^2	1/n	K^desF
Eurosoil 3	0.974	0.8835	2.1051	440961
LUFA 2.1	0.996	0.5923	1.0847	1560
LUFA 2.2	0.971	0.8622	1.1895	1363
LUFA 2.3	0.975	0.8635	0.8839	6183
LUFA 2.4	0.962	0.9715	1.026	15805

m_soil    =      used amount of soil (dry weight) [g]

n         =      regression constant

K^des_F    =      Freundlich desorption coefficient [µg^1-1/n(mL)^1/ng^-1]

 

Control Samples

The test item stability was confirmed by measurement of two control replicates during each adsorption experiment. The table below shows the recovery rate for control samples. The recovery is related to the nominal applied concentration and the adsorption to the test vessel is taken into account for control samples at the end of the experiment (2 h and 4 h). Therefore, amounts measured in the aqueous phase and amounts measured in test vessel extracts have been totalized.

 

Recovery Rates [%] of the Control Samples

Concentration Tier 2 – Adsorption kinetics: 6.00 mg test item/L

Concentration Tier 3 – Adsorption isotherm: 2.67 mg test item/L

	Eurosoil 3	LUFA 2.1	LUFA 2.2	LUFA 2.3	LUFA 2.4
C18C18 Compound
Tier 20h	104	108	95	103	81
Tier 24h	96	91	80	85^1)	70
Tier 32h	111	88	91	88	80
C18C16 Compound
Tier 20h	105	110	95	101	79
Tier 24h	95	90	83	87^1)	68
Tier 32h	105	89	96	84	87
C16C16 Compound
Tier 20h	108	115	100	104	90
Tier 24h	98	92	84	88^1)	76
Tier 32h	111	90	123	91	82

1)    = test vessel adsorption was not taken into account, since measured value was not plausible

Validity criteria fulfilled:

yes

Conclusions:

The test item TETRAMEEN 2HT adsorbs strongly to all tested soils. The strongest adsorption was determined for LUFA 2.4 which is also the soil with the highest cation exchange capacity. The desorption was determined to be not completely reversible. The adsorption does not show a linear correlation to the applied concentration (Freundlich adsorption). Therefore, the data obtained during the adsorption kinetics should be used for the assessment of the adsorption properties of the test item.

Executive summary:

The adsorption / desorption behavior of the test item TETRAMEEN 2HT (batch no.890000394200) was investigatedin five different soils accordingto OECD guideline 106 and EC C.18 from 2016-08-17 to 2016-11-21 at Noack Laboratorien GmbH, 31157 Sarstedt, Germany. Distribution coefficients K_dand organic carbon normalized distribution coefficients K_OC were determined with a single concentration. The desorption behavior / reversibility of the adsorption from the soils and the degree of adsorption and desorption (Freundlich adsorption and desorption isotherms) as a function of the test item loading level in the aqueous phase were investigated.

 

Relevant Characteristics of Test Matrices

	Soils
	Eurosoil 3	LUFA 2.1	LUFA 2.2	LUFA 2.3	LUFA 2.4
FAO soil unit (Eurosoils)^1) Soil Type (LUFA Soils)^2)	Dystric Cambisol	Silty sand	Loamy sand	Silty sand	Clayey loam
pH (0.01 M CaCl2)^4)	5.7	5.9	6.3	6.4	7.5
Organic Carbon [%]^3)	3.56	0.741	1.93	0.617	2.07
Clay (<0.002 mm) [%]^3)	16.5	4.8	7.7	9.8	27.6
Silt (0.002-0.063 mm) [%]^3)	33.0	13.3	12.7	29.3	43.3
Sand (0.063-2 mm) [%]^3)	50.5	81.9	79.6	61.0	29.1
Cation Exchange Capacity^3)[mval/100g]	8.2	2.0	7.2	5.4	24

1)source: Eurosoils II- Laboratory Reference for Soil-related Studies by B. M. Gawlik and H. Muntau

2)according to German DIN

3)determined atAgrolab Agrar und Umwelt GmbH(non-GLP) for soils used duringTier 2andTier 3

4) data determined during the course of the study

 

Based on results of preliminary investigations during Tier 1, a soil / solution ratio of 1:100 was used for adsorption experiments. Experiments for adsorption and desorption kinetics were conducted with a nominal test item concentration of 6.00 mg/L. The adsorption equilibrium was reached after 2 hours. For investigations concerning the Freundlich adsorption and desorption isotherm, additional concentrations of 2.67 mg/L, 4.00 mg/L, 10.0 mg/L and 13.5 mg/L have been applied. The three main components N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine, N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine and N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine of TETRAMEEN 2HT have been analysed by LC-MS/MS. Data are given for each analyte in the attached full study report and results have been used to calculate the study endpoints for the test item. Detailed analytical results are shown in part12 of the attached full study report.

The table below shows obtained distribution coefficients K_dand their correspondingorganic carbon normalized distribution coefficients K_OC. Furthermore, the mobility of the test item in the investigated matrices was classified according to McCall et al (1980). Additionally, the desorption coefficient K_des, the organic carbon normalized Freundlich adsorption coefficient K^OC_F as well asthe Freundlich desorption coefficient K^des_F are presented in the summarizing table.

Summarized Endpoints for the Active Ingredients of TETRAMEEN 2HT

Mobility according to McCall et al. (1980):K_OC0 – 50 very high,K_OC50 – 150 high,K_OC150 – 500 medium,K_OC500 – 2000 low,K_OC2000 – 5000 slight,K_OC> 5000 immobile; based on results of Tier 2
K_dand K_ocwere determined during Tier 2

K_des, K^OC_F and K^des_F were determined during Tier 3

	Kd[mL/g]	KOC[mL/g]	Kdes[mL/g]	K^OCF[µg^1-1/n(mL)^1/ng^-1]	K^desF[µg^1-1/n(mL)^1/ng^-1]	Mobility according to McCall et al.
Soil/Solution Ratio	1:100
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine
Eurosoil 3	3039	85362	3192	17500	8279	immobile
LUFA 2.1	421	56827	1458	42499	1577	immobile
LUFA 2.2	433	22413	778	27640	778	immobile
LUFA 2.3	3535	572935	7420	107650	9940	immobile
LUFA 2.4	14798	714857	17009	370365	19311	immobile
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine
Eurosoil 3	2901	81489	3227	14964	12025	immobile
LUFA 2.1	391	52730	1418	39426	1547	immobile
LUFA 2.2	421	21792	732	29312	743	immobile
LUFA 2.3	3534	572766	7803	95503	9732	immobile
LUFA 2.4	14755	712792	17342	328193	17865	immobile
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine
Eurosoil 3	1831	51441	2930	5783	440961	immobile
LUFA 2.1	303	40927	1265	23420	1560	immobile
LUFA 2.2	261	13508	592	35428	1363	immobile
LUFA 2.3	2010	325843	7724	37061	6183	immobile
LUFA 2.4	11162	539238	15445	204282	15805	immobile
TETRAMEEN 2HT
Eurosoil 3	2590	72764	3116	12749	153755	immobile
LUFA 2.1	372	50161	1380	35115	1561	immobile
LUFA 2.2	371	19237	701	30793	962	immobile
LUFA 2.3	3026	490515	7649	80071	8618	immobile
LUFA 2.4	13572	655629	16598	300947	17660	immobile

 

Description of key information

Di-C16 -18 Tetramines is protonated under ambient conditions. This means it they will sorb strongly to negatively charged substances like glassware, soil and sediment constituents. For five different soils Kd values were observed for diC16 -18 tetramines ranging from: 371 to 13572 L/kg with a mean Kd of 3986 L/kg. Sorption of alkyl polyamines is mainly driven by ionic interaction and to a lesser extend by the hydrophobic interaction of the hydrophobic tail(s). The observed Kd values should therefore not be normalized to the organic carbon this will otherwise lead to erroneous extrapolations.

Key value for chemical safety assessment

Other adsorption coefficients

Type:

log Kp (solids-water in soil)

Value in L/kg:

3.6

at the temperature of:

20 °C

Other adsorption coefficients

Type:

log Kp (solids-water in suspended matter)

Value in L/kg:

3.902

at the temperature of:

20 °C

Other adsorption coefficients

Type:

log Kp (solids-water in sediment)

Value in L/kg:

3.6

at the temperature of:

20 °C

Additional information

Due to the cationic surface-active properties Di-C16 -18 Tetramine will adsorb strongly onto the solid phase of soil and sediments. The substance can adsorb both onto the organic fraction and, dependent on the chemical composition, onto the surface of the mineral phase.Research (K. U. Goss, S. Droge, Y. Chen & J. Hermens) has shown that cationic surfactants partitioning to soil and sediment is mainly based on cation exchange. The clay, silt and organic matter fraction are the main fractions in soil and sediment contributing to the cation exchange capacity. Correlating partitioning of cationic surfactants to the organic carbon content alone will therefore not allow a reliable prediction of the partitioning in the environment. The non-normalized adsorption coefficients are therefore used for risk assessment.

The adsorption / desorption behavior of the test item di-C16 -18 Tetramine (batch no.890000394200) was investigated in five different soils according to OECD guideline 106. Distribution coefficients K_d and organic carbon normalized distribution coefficients K_OC were determined with a single concentration. The desorption behavior / reversibility of the adsorption from the soils and the degree of adsorption and desorption (Freundlich adsorption and desorption isotherms) as a function of the test item loading level in the aqueous phase were investigated.

 

Relevant Characteristics of Test Matrices used

	Soils
	Eurosoil 3	LUFA 2.1	LUFA 2.2	LUFA 2.3	LUFA 2.4
FAO soil unit (Eurosoils)^1) Soil Type (LUFA Soils)^2)	Dystric Cambisol	Silty sand	Loamy sand	Silty sand	Clayey loam
pH (0.01 M CaCl2)^4)	5.7	5.9	6.3	6.4	7.5
Organic Carbon [%]^3)	3.56	0.741	1.93	0.617	2.07
Clay (<0.002 mm) [%]^3)	16.5	4.8	7.7	9.8	27.6
Silt (0.002-0.063 mm) [%]^3)	33.0	13.3	12.7	29.3	43.3
Sand (0.063-2 mm) [%]^3)	50.5	81.9	79.6	61.0	29.1
Cation Exchange Capacity^3)[mval/100g]	8.2	2.0	7.2	5.4	24

1)source: Eurosoils II- Laboratory Reference for Soil-related Studies by B. M. Gawlik and H. Muntau

2) according to German DIN

3) determined at Agrolab Agrar und Umwelt GmbH (non-GLP) for soils used duringTier 2andTier 3

4) data determined during the course of the study

 

Based on results of preliminary investigations during Tier 1, a soil / solution ratio of 1:100 was used for adsorption experiments. Experiments for adsorption and desorption kinetics were conducted with a nominal test item concentration of 6.00 mg/L. The adsorption equilibrium was reached after 2 hours. For investigations concerning the Freundlich adsorption and desorption isotherm, additional concentrations of 2.67 mg/L, 4.00 mg/L, 10.0 mg/L and 13.5 mg/L have been applied. The three main components N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine, N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine and N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine of di-C16 -18Tetramine have been analysed by LC-MS/MS. Data are given for each analyte in the attached full study report and results have been used to calculate the study endpoints for the test item.

The table below shows obtained distribution coefficients K_d and their corresponding organic carbon normalized distribution coefficients K_OC. Furthermore, the mobility of the test item in the investigated matrices was classified according to McCall et al (1980). Additionally, the desorption coefficient K_des, the organic carbon normalized Freundlich adsorption coefficient K^OC_F as well asthe Freundlich desorption coefficient K^des_F are presented in the summarizing table.

Summarized Endpoints for the Active Ingredients of di-C16 -18 Tetramine

Mobility according to McCall et al. (1980): K_OC 0 – 50 very high, K_OC 50 – 150 high, K_OC 150 – 500 medium, K_OC 500 – 2000 low, K_OC 2000 – 5000 slight, K_OC > 5000 immobile; based on results of Tier 2
K_d and K_ocwere determined during Tier 2

K_des, K^OC_F and K^des_F were determined duringTier 3

	Kd [mL/g]	KOC [mL/g]	Kdes[mL/g]	K^OCF[µg^1-1/n(mL)^1/ng^-1]	K^desF[µg^1-1/n(mL)^1/ng^-1]	Mobility according to McCall et al.
Soil/Solution Ratio	1:100
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C18 alkylpropane-1,3-diamine
Eurosoil 3	3039	85362	3192	17500	8279	immobile
LUFA 2.1	421	56827	1458	42499	1577	immobile
LUFA 2.2	433	22413	778	27640	778	immobile
LUFA 2.3	3535	572935	7420	107650	9940	immobile
LUFA 2.4	14798	714857	17009	370365	19311	immobile
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- C16, C18 alkylpropane-1,3-diamine
Eurosoil 3	2901	81489	3227	14964	12025	immobile
LUFA 2.1	391	52730	1418	39426	1547	immobile
LUFA 2.2	421	21792	732	29312	743	immobile
LUFA 2.3	3534	572766	7803	95503	9732	immobile
LUFA 2.4	14755	712792	17342	328193	17865	immobile
N‘-{3-[(3-aminopropyl)amino]propyl}-N,N- di-C16 alkylpropane-1,3-diamine
Eurosoil 3	1831	51441	2930	5783	440961	immobile
LUFA 2.1	303	40927	1265	23420	1560	immobile
LUFA 2.2	261	13508	592	35428	1363	immobile
LUFA 2.3	2010	325843	7724	37061	6183	immobile
LUFA 2.4	11162	539238	15445	204282	15805	immobile
Di-C16 -18 Tetramine
Eurosoil 3	2590	72764	3116	12749	153755	immobile
LUFA 2.1	372	50161	1380	35115	1561	immobile
LUFA 2.2	371	19237	701	30793	962	immobile
LUFA 2.3	3026	490515	7649	80071	8618	immobile
LUFA 2.4	13572	655629	16598	300947	17660	immobile

 

Because there is no principal difference between soil and sediments considering the sorption properties and because for cationic surfactants the degree of sorption is not only related to the organic carbon content, the value for soil will also be used for sediment and suspended particles. Suspended sediment contains more smaller particles and the Kd (=Kp) for suspended sediment is therefore for precautionary reasons doubled. For sludge which consists mainly of organic matter the sorption data as observed for soil is not considered to be representative. This is however not a serious problem because the removal by sorption in a waste water treatment plant will be close to what is observed for C-16 -18 Tetramine in the waste water treatment simulation test i.e. about 15% removal.

 

In table ???, the distribution constants used in this assessment is summarized:

Tab. ???:Distribution constants for di-C16 -18 Tetramine

Kpsoil		3986 L/kg		Ksoil-water		5979 m^3/m^-3
Kpsusp		7972 L/kg		Ksusp-water		1993 m^3.m^-3
Kpsed		3986 L/kg		Ksed-water		1993 m^3.m^-3

 

With a Kp_suspof 7972 L/kg and a concentration of 15 mg/L suspended matter in surface waters, the adsorbed fraction is calculated as 11%.