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EC number: 701-354-5 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
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- Nanomaterial photocatalytic activity
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- Endpoint summary
- Stability
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- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
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- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-02-13 to 2018-05-09
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Council Regulation (EC) No. 440/2008, Method C.18 (2008)
- Deviations:
- no
- 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:
- Test Procedure
The study was performed in accordance to OECD-Guideline for Testing of Chemicals No. 106 (2000) and Council Regulation (EC) No. 440/2008, C.18 (2008).
Test vessels 50 mL disposable centrifugation tubes
Concentration for adsorption / desorption experiments
100 mg test item /L (concentration used for adsorption kinetics)
50 mg test item /L
10 mg test item /L
5 mg test item /L
1 mg test item /L
Stock solutions
Stock solutions 100 g/L, 50 g/L, 10g/L, 5g/L and 1g/L of the test item in ultrapure water were prepared. 0.1 volume-% (0.04 mL) of these stock solution, related to the volume of the aqueous phase in the soil suspensions, were used for spiking.
Preparation of the 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.
Preparation of the samples for adsorption experiments
The soil samples were conditioned as described above. 0.1 volume-% 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. Afterwards, the samples were agitated.
Preparation of the samples for desorption experiments
Samples at adsorption equilibrium were used for this purpose. After completion of the adsorption experiments the test vessels were centrifuged, weighed 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 ≥ 4000 rpm (3345 g) to separate the phases, followed by analysing the concentration of the analytes in aqueous phase by LC-MS/MS. For analysis of the soil, the aqueous phase was decanted and the soil was extracted. During Tier 3 adsorption isotherms, test vessels were extracted / rinsed with acetonitrile / 0.01 M CaCl2-solution 50/50 containing 1 % formic acid to determine test vessel adsorption. Extracts were also analysed by LC-MS/MS. . For details see below.
Replicates
All samples were prepared in duplicate.
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 to verify the stability of the test item in the aqueous phase under test conditions. The samples were 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 medium:
Acetonitrile : conditioned 0.01 M CaCl2 per soil 50:50 containing 1 % formic acid (matrix calibration for aqueous phase)
Blank extract per soil (acetonitrile : 0.01 M CaCl2 50:50 containing 1 % formic acid) (matrix calibration for soil extraction)
Standards:
A stock solution of 1 g test item/L in 50 mL acetonitrile: ultrapure water (50:50) containing 1 % formic acid was prepared. The solution was diluted to 7 calibration standards in the range of 50 to 1000 µg/L with dilution medium. Matrix calibrations were used.
Aqueous phase:
All samples were centrifuged at 4000 rpm (3445 g). An aliquot of each aqueous sample was stabilized by dilution with acetonitrile containing 2 % formic acis (factor 2). Samples were diluted to calibration range with dilution medium, if necessary.
Soil extraction:
25 mL acetonitrile: 0.01 M CaCl2 (50:50) containing 1 % formic acid were added to the wet soil. Ultrasound was used for 10 min and the vessel was shaken for 60 min. The suspensions were centrifuged at 4000 rpm for 5 min. The extraction was repeated twice with 25 mL acetonitrile: 0.01 M CaCl2 (50:50) containing 1 % formic acid without using ultrasound (3rd extraction step with shaking overnight). The extracts were transferred quantitatively into a 100 mL measuring flask and filled up with acetonitrile: 0.01 M CaCl2 (50:50) containing 1 % formic acid. Blank extract was used for dilutions to calibration range, if necessary.
Samples for method validation:
Samples were prepared as described above (‘soil samples (conditioning)’) with a soil / solution ratio 1:10. The aqueous phases were decanted and spiked with test item at 1 x LOQ level (150 µg/L). All samples were diluted with acetonitrile containing 2 % formic acid by factor 2. - Matrix no.:
- #1
- Matrix type:
- other: silty sand
- % Clay:
- 4.1
- % Silt:
- 10.5
- % Sand:
- 85.4
- % Org. carbon:
- 0.718
- pH:
- 5.9
- CEC:
- 2.4 other: mval/100 g
- Matrix no.:
- #2
- Matrix type:
- loamy sand
- % Clay:
- 8.5
- % Silt:
- 11.3
- % Sand:
- 80.2
- % Org. carbon:
- 1.47
- pH:
- 6.6
- CEC:
- 7.6 other: mval/100 g
- Matrix no.:
- #3
- Matrix type:
- other: silty sand
- % Clay:
- 8.6
- % Silt:
- 29.3
- % Sand:
- 62.1
- % Org. carbon:
- 0.412
- pH:
- 6.7
- CEC:
- 4.9 other: mval/100 g
- Matrix no.:
- #4
- Matrix type:
- clay loam
- % Clay:
- 25.2
- % Silt:
- 42.3
- % Sand:
- 32.6
- % Org. carbon:
- 1.74
- pH:
- 7.5
- CEC:
- 22 other: mval/100 g
- Matrix no.:
- #5
- Matrix type:
- loamy sand
- % Clay:
- 10.2
- % Silt:
- 31.1
- % Sand:
- 58.7
- % Org. carbon:
- 0.916
- pH:
- 7.5
- CEC:
- 10 other: mval/100 g
- Details on matrix:
- Reason for the selection
The content of organic carbon of the selected soils differ significantly. These matrices are suitable for the conduction of the study because all parameters with impact on the adsorption / desorption behavior of a chemical substance were considered.
Origin of soils:
Landwirtschaftliche Untersuchungs- und Forschungsanstalt LUFA Speyer, Obere Langgasse 40, 67346 Speyer, Germany
Storage at test facility:
Room temperature, in closed containers - Details on test conditions:
- CaCl2-solution:
Ultrapure water was used to prepare the CaCl2-solution (0.01 M).
Soil / Solution ratio:
Tier 1: 1:40 for soils LUFA 2.2 and LUFA 2.4
1:10 for soils LUFA 2.2, LUFA 2.3 and LUFA 5M
1:5 for soil LUFA 2.1
Tier 2 and tier 3:
1:40 for soil LUFA 2.4
1:10 for soils LUFA 2.2 and LUFA 5M
1:5 for soils LUFA 2.1 and LUFA 2.3
Agitation:
By horizontal shaker. Frequency was adjusted to avoid sedimentation of soil particles during treatment.
Test temperature:
The temperature was in the range of 20 ± 2 °C during the course of the study. - Key result
- Sample No.:
- #1
- Type:
- Kd
- Value:
- 4.65 L/kg
- pH:
- 5.9
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.1 soil/solution ratio 1:5
- % Org. carbon:
- 0.718
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 648 L/kg
- pH:
- 5.9
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.1 soil/solution ratio 1:5
- % Org. carbon:
- 0.718
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #2
- Type:
- Kd
- Value:
- 4.25 L/kg
- pH:
- 6.6
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.2 soil/solution ratio 1:10
- % Org. carbon:
- 1.47
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 289 L/kg
- pH:
- 6.6
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.2 soil/solution ratio 1:10
- % Org. carbon:
- 1.47
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #3
- Type:
- Kd
- Value:
- 2.02 L/kg
- pH:
- 6.7
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.3 soil/solution ratio 1:5
- % Org. carbon:
- 0.412
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Value:
- 491 L/kg
- pH:
- 6.7
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.3 soil/solution ratio 1:5
- % Org. carbon:
- 0.412
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #4
- Type:
- Kd
- Value:
- 20.8 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.4 soil/solution ratio 1:40
- % Org. carbon:
- 1.74
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #4
- Type:
- log Koc
- Value:
- 1 198 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.4 soil/solution ratio 1:40
- % Org. carbon:
- 1.74
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #5
- Type:
- Kd
- Value:
- 8.45 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 5M soil/solution ratio 1:10
- % Org. carbon:
- 0.916
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #5
- Type:
- Koc
- Value:
- 922 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 5M soil/solution ratio 1:10
- % Org. carbon:
- 0.916
- Remarks on result:
- other: Dodecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #1
- Type:
- Kd
- Value:
- 25 L/kg
- pH:
- 5.9
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.1 soil/solution ratio 1:5
- % Org. carbon:
- 0.718
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 3 485 L/kg
- pH:
- 5.9
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.1 soil/solution ratio 1:5
- % Org. carbon:
- 0.718
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #2
- Type:
- Kd
- Value:
- 24.2 L/kg
- pH:
- 6.6
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.2 soil/solution ratio 1:10
- % Org. carbon:
- 1.47
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 1 649 L/kg
- pH:
- 6.6
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.2 soil/solution ratio 1:10
- % Org. carbon:
- 1.47
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #3
- Type:
- Kd
- Value:
- 10.9 L/kg
- pH:
- 6.7
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.3 soil/solution ratio 1:5
- % Org. carbon:
- 0.412
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Value:
- 2 657 L/kg
- pH:
- 6.7
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.3 soil/solution ratio 1:5
- % Org. carbon:
- 0.412
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #4
- Type:
- Kd
- Value:
- 114 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.4 soil/solution ratio 1:40
- % Org. carbon:
- 1.74
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #4
- Type:
- Koc
- Value:
- 6 536 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 2.4 soil/solution ratio 1:40
- % Org. carbon:
- 1.74
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #5
- Type:
- Kd
- Value:
- 53 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 5M soil/solution ratio 1:10
- % Org. carbon:
- 0.916
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Key result
- Sample No.:
- #5
- Type:
- Koc
- Value:
- 5 791 L/kg
- pH:
- 7.5
- Temp.:
- 20 °C
- Matrix:
- LUFA 5M soil/solution ratio 1:10
- % Org. carbon:
- 0.916
- Remarks on result:
- other: Tetradecylpropylenediamine tripropionate
- Validity criteria fulfilled:
- yes
- Executive summary:
The adsorption / desorption behavior of the test item Sodium cocopropylenediamine propionate(batch no.48724) was investigated in five different soils according to OECD guideline 106 and Council Regulation (EC) No. 440/2008, C.18 from 2018-02-13 to 2017-05-09 at Noack Laboratorien GmbH, 31157 Sarstedt, Germany. Distribution coefficients Kd and organic carbon normalized distribution coefficients KOC were determined with a single concentration. The desorption behavior / reversibility of the adsorption from the soils and the degree of adsorption and desorption as a function of the test item loading level (Freundlich adsorption and desorption isotherms) in the aqueous phase were investigated. Two active ingredients Dodecylpropylenediaminetripropionate and Tetradecylpropylenediaminetripropionate were used as lead components of the test item and were analysed by LC-MS/MS. Data are given for each analyte in this report.
RelevantCharacteristics of Test Matrices
Soils
LUFA 2.1
LUFA 2.2
LUFA 2.3
LUFA 2.4
LUFA 5M
Soil Type1)
Silty sand
Loamy sand
Silty sand
Clayey loam
Loamy sand
pH (0.01 M CaCl2)3)
4.9
5.4
5.9
7.4
7.3
Organic Carbon [%]2)
0.718
1.47
0.412
1.74
0.916
Clay (<0.002 mm) [%]2)
4.1
8.5
8.6
25.2
10.2
Silt (0.002-0.063 mm) [%]2)
10.5
11.3
29.3
42.3
31.1
Sand (0.063-2 mm) [%]2)
85.4
80.2
62.1
32.6
58.7
Cation Exchange Capacity [mval/100g]2)
2.4
7.6
4.9
22
10
1)according to German DIN
2)determined at Agrolab Agrar und Umwelt GmbH (non-GLP)
3) Analyses data sheet provided by LUFA Speyer
Experiments in Tier 1 showed no significant adsorption to the test vessel surfaces. A mass balance between 84 % and 97 % was determined. Mass balances < 90% were assumed to be caused by fast formation of non extractable residues rather than by degradation of the test item in soil. Based on the results of Tier 1 soil / solution ratios of 1:40 for soil LUFA 2.4, 1:10 for soils LUFA 2.2 and LUFA 5M and 1:5 for soils LUFA 2.1 and LUFA 2.3 were used for adsorption experiments with an agitation time of 24h. Experiments for adsorption and desorption kinetics were conducted with a nominal test item concentration of 100 mg test item/L (K1). Desorption kinetic experiments were conducted over 48h. Additional application levels of 50, 10, 5 and 1 mg test item/L (K2 – K5) were used for the determination of Freundlich adsorption and desorption isotherms with an agitation time of 24h each. The agitation time for the desorption isotherms was reduced because a decrease of the test item in the aqueous phase was observed between 24h and 48h. Adsorption kinetic experiments (Tier 2) as well as the desorption experiments in Tier 3 were analysed by the indirect method (only the aqueous phase was analysed). In contrast, the direct method (analysis of samples of the aqueous phase and soil extracts) was used during the determination of the adsorption isotherms because occasionally mass balances were < 90% during experiments in Tier 1.
The table below presents the observed distribution coefficients Kd and their corresponding organic carbon normalized distribution coefficients KOC. Furthermore, the mobility of the test item in the investigated matrices was classified according to McCallet al.(1980) based on the obtained values for the organic carbon normalised Freundlich adsorption coefficient KFOC. Additionally, the desorption coefficient Kdes and KOCF are presented in the summarizing table.
Summarized Endpoints forSodium cocopropylenediamine propionateand the Active Ingredients
Mobility according to McCall et al. (1980): KOC 0 – 50 very high, KOC 50 – 150 high, KOC 150 – 500 medium, KOC 500 – 2000 low, KOC 2000 – 5000 slight, KOC > 5000 immobile
Soil
Soil / Solution Ratio
maq(eq)
[µg]Kd
[mL/g]KOC
[mL/g]Kdes
[mL/g]KFOC
[µg1-1/n
(mL)1/ng-1]1/n
Mobility according to McCall et al. based on KFOC
Dodecylpropylenediamine tripropionate
LUFA 2.1
1:5
374
4.65
648
27.8
1345
0.68
low
LUFA 2.2
1:10
453
4.25
289
50.4
538
0.73
low
LUFA 2.3
1:5
520
2.02
491
8.49
675
0.90
low
LUFA 2.4
1:40
431
20.8
1198
83.0
822
0.96
low
LUFA 5M
1:10
412
8.45
922
35.6
935
1.0
low
Tetradecylpropylenediamine tripropionate
LUFA 2.1
1:5
28.8
25.0
3485
111
3199
0.76
slight
LUFA 2.2
1:10
44.1
24.2
1649
84.2
1661
0.78
low
LUFA 2.3
1:5
53.0
10.9
2657
58.0
3402
0.91
slight
LUFA 2.4
1:40
44.9
114
6536
128
4346
0.93
slight
LUFA 5M
1:10
29.0
53.0
5791
261
4564
1.0
slight
Sodium cocopropylenediamine propionate– Weighted Average Value
LUFA 2.1
1:5
305
8.72
1215
44.4
1716
0.70
low
LUFA 2.2
1:10
371
8.24
561
57.2
763
0.74
low
LUFA 2.3
1:5
427
3.80
924
18.4
1220
0.90
low
LUFA 2.4
1:40
354
39.4
2266
92.0
1527
0.95
low
LUFA 5M
1:10
335
17.4
1896
80.7
1661
1.0
low
maq(eq) = mass in the aqueous phase at adsorption equilibrium; value was calculated for Sodium cocopropylenediamine propionatefrom measured concentrations of the active ingredients and taking the respective contents into account
KOC [mL/g] = determined for 100 mg test item /L during adsorption kinetics
Kdes mean value derived from the desorption isotherms
LUFA 2.1 C12 Compound: K1 – K4 C14 Compound: K1 – K3
LUFA 2.2 C12 Compound: K1 – K3 C14 Compound: K1 – K2
LUFA 2.3 C12 Compound: K1 – K3 C14 Compound: K1 – K3
LUFA 2.4 C12 Compound: K1 – K4 C14 Compound: K1 – K3
LUFA 5M C12 Compound: K1 – K3 C14 Compound: K1 – K3
Only the four highest concentrations were considered for the calculation of the adsorption isotherms because the measured concentrations were at least in one of the analysed matrices (aqueous phase or soil) lower than the lowest calibration level at the end of the experiment.
No desorption isotherms were determined because the desorption was low in the lower application concentrations leading also to values lower than the lowest calibration level in the aqueous phase. Instead a mean value for Kdes was calculated by taking into account these application levels with concentrations inside the calibration range in the aqueous phase at the end of the experiment.
A weighted average value was calculated for all endpoints. A typical distribution of the lead components of 64% Dodecylpropylenediaminetripropionate and 16 % Tetradecylpropylenediaminetripropionate was considered for this purpose.
The test item Sodium cocopropylenediamine propionate adsorbs to all tested soils with KFoc values between 763 and 1716 and has therefore a low mobility in soils according to McCall et al. The adsorption was not completely reversible because the desorption coefficients Kdes were higher than the adsorption coefficients Kd in all soils and for both components.
Reference
Tier 1–Adsorption
Tier 1:LUFA 2.1 – Soil / Solution Ratio 1:5
Soil / Solution Ratio |
Applied concentration, test item [mg/L] |
Sampling point [h] |
Adsorption |
Adsorption |
1:40 |
100 |
24 |
50 |
82 |
Tier 1:LUFA 2.2 – Soil / Solution Ratios 1:10 and 1:40
Soil / Solution Ratio |
Applied concentration, test item [mg/L] |
Sampling point [h] |
Adsorption |
Adsorption |
1:10 |
100 |
24 |
43 |
79 |
1:40 |
100 |
24 |
12 |
35 |
Tier 1:LUFA 2.3 – Soil / Solution Ratio 1:10
Soil / Solution Ratio |
Applied concentration, test item [mg/L] |
Sampling point [h] |
Adsorption |
Adsorption |
1:10 |
100 |
24 |
24 |
65 |
Tier 1:LUFA 2.4 – Soil / Solution Ratio 1:40
Soil / Solution Ratio |
Applied concentration, test item [mg/L] |
Sampling point [h] |
Adsorption |
Adsorption |
1:40 |
100 |
24 |
37 |
73 |
Tier 1:LUFA 5M – Soil / Solution Ratio 1:10
Soil / Solution Ratio |
Applied concentration, test item [mg/L] |
Sampling point [h] |
Adsorption |
Adsorption |
1:10 |
100 |
24 |
54 |
84 |
Tier 1 – Test Vessel Adsorption
Tier 1:LUFA 2.2 – Test Vessel Adsorption – Test Item Control Samples
0.01 M CaCl2 was conditioned with LUFA 2.2
Soil / Solution Ratio |
Applied concentration test item [mg/L] |
Sampling point [h] |
Recovery |
Recovery of |
Recovery |
Recovery of |
1:40 pp |
100 |
24 |
90 |
97 |
90 |
100 |
1:40 gl |
100 |
24 |
87 |
93 |
89 |
94 |
Table15: Tier 1:LUFA 2.4 – Test Vessel Adsorption – Test Item Control Samples
0.01 M CaCl2 was conditioned with LUFA 2.4
Soil / Solution Ratio |
Applied concentration test item [mg/L] |
Sampling point [h] |
Recovery |
Recovery of |
Recovery |
Recovery of |
1:40 pp |
100 |
24 |
92 |
108 |
96 |
109 |
1:40 gl |
100 |
24 |
99 |
116 |
102 |
107 |
pp = 50 mL polypropylene centrifugation tube as test vessel
gl =
50 mL disposable glass bottle as test vessel
Tier 1 – Extraction from Soil / Mass Balance
Tier 1:Mass Balance LUFA 2.1
Soil / Solution Ratio 1:5
applied test item concentration: 100 mg/L, n=2
|
Sampling point
|
Recovery rate from aqueous phase |
Recovery rate from solid phase |
Mass balance1) |
C12 Compound |
24 I |
54 |
38 |
91 |
24 II |
45 |
44 |
||
C14 Compound |
24 I |
19 |
78 |
97 |
24 II |
17 |
80 |
I, II = replicate number
1) =Sum of aqueous phase and solid phase, mean value
Tier 1:Mass Balance LUFA 2.2
Soil / Solution Ratio 1:10
applied test item concentration: 100 mg/L, n=2
|
Sampling point
|
Recovery rate from aqueous phase |
Recovery rate from solid phase |
Mass balance1) |
C12 Compound |
24 I |
60 |
27 |
85 |
24 II |
57 |
26 |
||
C14 Compound |
24 I |
25 |
62 |
84 |
24 II |
21 |
60 |
I, II = replicate number
1) = Sum of aqueous phase and solid phase, mean value
Tier 1:Mass Balance LUFA 2.3
Soil / Solution Ratio 1:10
applied test item concentration: 100 mg/L, n=2
|
Sampling point
|
Recovery rate from aqueous phase |
Recovery rate from solid phase |
Mass balance1) |
C12 Compound |
24 I |
77 |
20 |
95 |
24 II |
74 |
20 |
||
C14 Compound |
24 I |
37 |
55 |
89 |
24 II |
34 |
53 |
I, II = replicate number
1) = Sum of aqueous phase and solid phase, mean value
Tier 1:Mass
Balance LUFA 2.4 Soil / Solution Ratio 1:40
applied test item
concentration: 100 mg/L, n=2
|
Sampling point
|
Recovery rate from aqueous phase |
Recovery rate from solid phase |
Mass balance1) |
C12 Compound |
24 I |
56 |
29 |
89 |
24 II |
63 |
30 |
||
C14 Compound |
24 I |
23 |
67 |
91 |
24 II |
25 |
67 |
I, II = replicate number
1) = Sum of aqueous phase and solid phase, mean value
Tier 1:Mass Balance LUFA 5M
Soil / Solution Ratio 1:10
applied test item concentration: 100 mg/L, n=2
|
Sampling point
|
Recovery rate from aqueous phase |
Recovery rate from solid phase |
Mass balance1) |
C12 Compound |
24 I |
47 |
44 |
87 |
24 II |
45 |
38 |
||
C14 Compound |
24 I |
18 |
76 |
88 |
24 II |
14 |
67 |
I, II = replicate number
1) = Sum of aqueous phase and solid phase, mean value
Tier 2 – Adsorption Kinetics
Equilibrium Time, Measured Amounts in Aqueous Phase and Soil Extracts, Percent of Adsorption and Distribution Coefficients Kd, KOC for C12 Compound
Applied concentration, test item: 100 mg/L
Applied amount, test item: 4 mg
Applied amount, a.i.: 763 µg
time to reach equilibrium 24 h
n = 2; Vaq= 40 mL
Soil Type |
s/s ratio |
msoil [g] |
madsaq(eq) [µg] |
madss(eq) [µg] |
Kd [mL/g] |
%OC |
KOC[mL/g] |
Adsorption [%] |
LUFA 2.1 |
1:5 |
7.75 |
374 |
337 |
4.65 |
0.718 |
648 |
51 |
LUFA 2.2 |
1:10 |
3.71 |
453 |
179 |
4.25 |
1.47 |
289 |
41 |
LUFA 2.3 |
1:5 |
7.69 |
520 |
202 |
2.02 |
0.412 |
491 |
32 |
LUFA 2.4 |
1:40 |
0.906 |
431 |
204 |
20.8 |
1.74 |
1198 |
44 |
LUFA 5M |
1:10 |
3.70 |
412 |
321 |
8.45 |
0.916 |
922 |
46 |
Vaq =used volume of aqueous phase
s/s ratio =soil / solution ratio
msoil =used amount of soil (dry weight)
madsaq =amount of a.i. in the aqueous phase at equilibrium
madss =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 CoefficientsKd,KOCfor C14 Compound
Applied concentration, test item: 100 mg/L
Applied amount, test item: 4 mg
Applied amount, a.i.: 191 µg
time to reach equilibrium 24 h
n = 2; Vaq= 40 mL
Soil Type |
s/s ratio |
msoil [g] |
madsaq(eq) [µg] |
madss(eq) [µg] |
Kd [mL/g] |
%OC |
KOC[mL/g] |
Adsorption [%] |
LUFA 2.1 |
1:5 |
7.75 |
28.8 |
140 |
25.0 |
0.718 |
3485 |
85 |
LUFA 2.2 |
1:10 |
3.71 |
44.1 |
99.2 |
24.2 |
1.47 |
1649 |
77 |
LUFA 2.3 |
1:5 |
7.69 |
53.0 |
112 |
10.9 |
0.412 |
2657 |
72 |
LUFA 2.4 |
1:40 |
0.906 |
44.9 |
116 |
114 |
1.74 |
6536 |
76 |
LUFA 5M |
1:10 |
3.70 |
29.0 |
142 |
53.0 |
0.916 |
5791 |
85 |
Vaq =used volume of aqueous phase
s/s ratio =soil / solution ratio
msoil =used amount of soil (dry weight)
madsaq =amount of a.i. in the aqueous phase at equilibrium
madss =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 after 24 h adsorption.
Percent of Desorption and Desorption Coefficient Kdes for C12 Compound
Applied concentration, test item: 100 mg/L
Applied amount, test item: 4 mg
Applied amount, a.i.: 764 µg
n = 2; Vaq= 100 mL
Soil Type |
s/s ratio |
teq[h] |
msoil[g] |
mdesaq(eq) [µg] |
madss(eq) [µg] |
Kdes[mL/g] |
Desorption [%] |
LUFA 2.1 |
1:5 |
24 |
7.75 |
98.5 |
472 |
19.6 |
21 |
LUFA 2.2 |
1:10 |
24 |
3.71 |
96.9 |
248 |
16.8 |
39 |
LUFA 2.3 |
1:5 |
24 |
7.69 |
121 |
277 |
6.69 |
44 |
LUFA 2.4 |
1:40 |
24 |
0.906 |
165 |
219 |
14.6 |
78 |
LUFA 5M |
1:10 |
24 |
3.70 |
162 |
341 |
11.9 |
48 |
Percent of Desorption and Desorption Coefficient Kdes for C14 Compound
Applied concentration, test item: 100 mg/L
Applied amount, test item: 4 mg
Applied amount, a.i.: 191 µg
n = 2; Vaq= 100 mL
Soil Type |
s/s ratio |
teq[h] |
msoil[g] |
mdesaq(eq) [µg] |
madss(eq) [µg] |
Kdes[mL/g] |
Desorption [%] |
LUFA 2.1 |
1:5 |
24 |
7.75 |
11.3 |
171 |
73.3 |
7 |
LUFA 2.2 |
1:10 |
24 |
3.71 |
19.2 |
138 |
66.7 |
14 |
LUFA 2.3 |
1:5 |
6 |
7.69 |
23.1 |
147 |
28.0 |
12 |
LUFA 2.4 |
1:40 |
24 |
0.906 |
36.1 |
140 |
127 |
26 |
LUFA 5M |
1:10 |
24 |
3.70 |
21.9 |
161 |
68.9 |
14 |
Vaq =used volume of aqueous phase
s/s ratio =soil / solution ratio
teq =time to reach equilibrium based on figures 10 to 12
msoil =used amount of soil (dry weight)
mdesaq =amount a.i. measured in the aqueous phase after desorption step
(entrained water taken into account)
madss =amount
of a.i. adsorbed to soil at equilibrium
Tier 3 – Adsorptions Isotherms
Freundlich AdsorptionIsotherms for C12 Compound
Applied test item concentrations: 1, 5, 10, 50, 100 mg/L
Agitation 24 h
Volume of aqueous phase: 40 mL
Soil Type |
msoil[g] |
r2 |
1/n |
KFads |
KFOC |
Kd[ml/g]* |
KOC[ml/g]* |
LUFA 2.1 |
7.75 |
0.978 |
0.68 |
9.66 |
1345 |
28.2 |
3925 |
LUFA 2.2 |
3.71 |
0.993 |
0.73 |
7.91 |
538 |
32.8 |
2231 |
LUFA 2.3 |
7.69 |
0.987 |
0.90 |
2.78 |
675 |
4.84 |
1175 |
LUFA 2.4 |
0.906 |
0.985 |
0.96 |
14.3 |
822 |
34.4 |
1975 |
LUFA 5M |
3.70 |
0.992 |
1.0 |
8.57 |
935 |
3.23 |
352 |
Freundlich Adsorption Isotherms for C14 Compound
Applied test item concentrations: 1, 5, 10, 50, 100 mg/L
Agitation 24 h
Volume of aqueous phase: 40 mL
Soil Type |
msoil[g] |
r2 |
1/n |
KFads |
KFOC |
Kd[ml/g]* |
KOC[ml/g]* |
LUFA 2.1 |
7.75 |
0.996 |
0.76 |
23.0 |
3199 |
32.2 |
4480 |
LUFA 2.2 |
3.71 |
0.996 |
0.78 |
24.4 |
1661 |
15.5 |
1052 |
LUFA 2.3 |
7.69 |
0.991 |
0.91 |
14.0 |
3402 |
0.470 |
114 |
LUFA 2.4 |
0.906 |
0.982 |
0.93 |
75.6 |
4346 |
113 |
6484 |
LUFA 5M |
3.70 |
0.994 |
1.0 |
41.8 |
4564 |
5.11 |
558 |
msoil = used amount of soil (dry weight) [g]
n = regression constant
%OC = percentage of organic carbon content in the soil
KFads = Freundlich adsorption coefficient [µg1-1/n(mL)1/ng-1]
KFOC = Freundlich adsorption coefficient normalized to content of organic carbon [µg1-1/n(mL)1/ng-1]
*) = for test item concentration 1 mg/L
Tier 3– Desorption Isotherms
In some samples, results < LOQ were measured. Hence the Freundlich desorption coefficient KFdes were not determined because the linearity of the desorption isotherms was not given. Therefore, individual values of Kdes and mean values have been calculated. Samples < LOQ were not considered. The tables below summarize the results.
Freundlich Desorption Isotherms for C12 compound
Adsorption 24h
Desorption 24h
m soil (dry weight) [g] 7.75 LUFA 2.1
3.71 LUFA 2.2
7.69 LUFA 2.3
0.906 LUFA 2.4
3.70 LUFA 5M
Volume of aqueous phase: 40 mL
Soil Type |
Ctest item[mg/L] |
ma.i.[µg] |
madsaq(eq) [µg] |
madss(eq) [µg] |
Kdes[ml/g] |
Kdes mean value[ml/g] |
LUFA 2.1 |
100 |
763 |
85.3 |
206 |
12.4 |
27.8 |
50 |
382 |
39.4 |
150 |
19.7 |
||
10 |
76.3 |
5.04 |
39.8 |
40.8 |
||
5 |
38.2 |
2.65 |
19.7 |
38.4 |
||
LUFA 2.2 |
100 |
763 |
52.8 |
120 |
24.5 |
50.4 |
50 |
382 |
27.7 |
66.8 |
26.0 |
||
10 |
76.3 |
2.40 |
22.4 |
101 |
||
LUFA 2.3 |
100 |
763 |
87.9 |
106 |
6.29 |
8.49 |
50 |
382 |
58.8 |
47.3 |
4.19 |
||
10 |
76.3 |
5.18 |
14.9 |
15.0 |
||
LUFA 2.4 |
100 |
763 |
134 |
42.7 |
14.0 |
83.0 |
50 |
382 |
68.7 |
9.78 |
6.28 |
||
10 |
76.3 |
11.7 |
4.51 |
17.1 |
||
5 |
38.2 |
0.947 |
6.32 |
295 |
||
LUFA 5M |
100 |
763 |
118 |
147 |
13.5 |
35.6 |
50 |
382 |
53.1 |
102 |
20.9 |
||
10 |
76.3 |
3.13 |
20.9 |
72.3 |
c test item = applied concentration of the test item
ma.i. = applied amount of the a.i.
madsaq =amount of a.i. in the aqueous phase at equilibrium
madss =amount
of a.i. in the soil at equilibrium
Freundlich Desorption Isotherms for C14 compound
Adsorption 24h
Desorption 24h
m soil (dry weight) [g] 7.75 LUFA 2.1
3.71 LUFA 2.2
7.69 LUFA 2.3
0.906 LUFA 2.4
3.70 LUFA 5M
Volume of aqueous phase: 40 mL
Soil Type |
Ctest item[mg/L] |
ma.i.[µg] |
madsaq(eq) [µg] |
madss(eq) [µg] |
Kdes[ml/g] |
Kdes mean value[ml/g] |
LUFA 2.1 |
100 |
191 |
10.9 |
111 |
52.7 |
111 |
50 |
95.4 |
4.73 |
66.4 |
72.5 |
||
10 |
19.1 |
0.348 |
14.0 |
207 |
||
5 |
9.54 |
0.212 |
6.75 |
164 |
||
LUFA 2.2 |
100 |
191 |
12.6 |
85.5 |
73.1 |
84.2 |
50 |
95.4 |
5.03 |
44.4 |
95.3 |
||
LUFA 2.3 |
100 |
191 |
16.1 |
97.9 |
31.6 |
58.0 |
50 |
95.4 |
8.61 |
50.8 |
30.7 |
||
10 |
19.1 |
0.418 |
8.98 |
112 |
||
LUFA 2.4 |
100 |
191 |
35.0 |
67.6 |
85.4 |
128 |
50 |
95.4 |
14.9 |
33.4 |
99.0 |
||
10 |
19.1 |
1.63 |
7.34 |
199 |
||
LUFA 5M |
100 |
191 |
15.7 |
97.4 |
67.2 |
261 |
50 |
95.4 |
5.80 |
61.2 |
114 |
||
10 |
19.1 |
0.163 |
9.06 |
601 |
c test item= applied concentration of the test item
ma.i. = applied amount of the a.i.
madsaq =amount of a.i. in the aqueous phase at equilibrium
madss =amount of a.i. in the soil at equilibrium
Description of key information
The adsorption / desorption behavior of Sodium cocopropylenediamine propionate CAS no. 2136366 -30 -6 was investigated in sorption/desorption test using five different soils according to OECD guideline 106.
The quantification was focused on the two main constituents which are the Sodium dodecylpropylenediamine propionate (64%) and the Sodium tetradecylpropylenediamine propionate (16%). For both constituents the freundlich adsorption and desorption isotherms using 5 different test concentrations were determined for each of the 5 soils. The mean Koc of Sodium dodecylpropylenediamine propionate for the 5 soils was 709.6 L/kg. The mean Koc of Sodium tetradecylpropylenediamine propionate for the 5 soils was 4023.6 L/kg. The weighted mean Koc for the 5 soils taking the two main constituents as representative for Sodium cocopropylenediamine propionate is 1372.4 L/kg. The mean KfOC which is the mean Koc derived from the Freundlich isotherms is 1377.4 L/kg. This last value will be used for risk assessment purposes.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 377.4
Additional information
The adsorption / desorption behavior ofSodium cocopropylenediamine propionate CAS no. 2136366 -30 -6 was investigated in sorption/desorption test using five different soils according to OECD guideline 106.
The quantification was focused on the two main constituents which are the Sodium dodecylpropylenediamine propionate (64%) and the Sodium tetradecylpropylenediamine propionate (16%). For both constituents the freundlich adsorption and desorption isotherms using 5 different test concentrations were determined for each of the 5 soils. The mean Koc ofSodium dodecylpropylenediamine propionate for the 5 soils was 709.6 L/kg.The mean Koc ofSodium tetradecylpropylenediamine propionate for the 5 soils was 4023.6 L/kg. The weighted mean Koc for the 5 soils taking the two main constituents as representative for Sodium cocopropylenediamine propionate is 1372.4 L/kg. The mean KfOC which is the mean Koc derived from the Freundlich isotherms is 1377.4 L/kg. This last value will be used for risk assessment purposes.
Based on results of preliminary investigations during Tier 1, a soil / solution ratio of 1:40 for soil LUFA 2.4, 1:10 for soils LUFA 2.2 and LUFA 5M and 1:5 for soils LUFA 2.1 and LUFA 2.3
was used for adsorption experiments. Experiments for adsorption and desorption kinetics were conducted with a nominal test item concentration of 100 mg/L. For investigations concerning the Freundlich adsorption and desorption isotherms, additional concentrations of 50 mg/L, 10 mg/L, 5 mg/L and 1 mg/L have been applied. Two active ingredients Dodecylpropylenediaminetripropionate and Tetradecylpropylenediaminetripropionate were used as lead components of the test item and were analysed by LC-MS/MS. Data are given for each analyte in this report.
The table below presents the observed distribution coefficients Kd and their corresponding organic carbon normalized distribution coefficients KOC. Furthermore, the mobility of the test item in the investigated matrices was classified according to McCallet al.(1980). Additionally, the desorption coefficient Kdes and the organic carbon normalized Freundlich adsorption coefficient KOCF are presented in the summarizing table. Since the adsorption for the lower concentrations was higher the measured concentrations for the desorption was lower than the limit of quantification. Hence the Freundlich desorption coefficient KFdes was not determined because the linearity of the desorption isotherms was not given. Therefore individual values of Kdesand mean values have been calculated.
A weighted average value was calculated for all endpoints. A typical distribution of the lead components of 64% Dodecylpropylenediaminetripropionate 16 % Tetradecylpropylenediaminetripropionate was considered for this purpose.
Summarized Endpoints forSodium cocopropylenediamine propionateand the Active Ingredients
Mobility according to McCall et al. (1980): KOC 0 – 50 very high, KOC 50 – 150 high, KOC 150 – 500 medium, KOC 500 – 2000 low, KOC 2000 – 5000 slight, KOC> 5000 immobile
Soil |
Soil / Solution Ratio |
maq(eq) |
Kd |
KOC |
Kdes |
KFOC [µg1-1/n |
Mobility according to McCall et al. |
Dodecylpropylenediamine tripropionate |
|||||||
LUFA 2.1 |
1:5 |
374 |
4.65 |
648 |
27.8 |
1345 |
low |
LUFA 2.2 |
1:10 |
453 |
4.25 |
289 |
50.4 |
539 |
medium |
LUFA 2.3 |
1:5 |
520 |
2.02 |
491 |
9.49 |
675 |
medium |
LUFA 2.4 |
1:40 |
431 |
20.8 |
1198 |
83.0 |
822 |
low |
LUFA 5M |
1:10 |
412 |
8.45 |
922 |
35.6 |
935 |
low |
Tetradecylpropylenediamine tripropionate |
|||||||
LUFA 2.1 |
1:5 |
28.8 |
25.0 |
3485 |
111 |
3199 |
slight |
LUFA 2.2 |
1:10 |
44.12 |
24.2 |
1649 |
84.2 |
1661 |
low |
LUFA 2.3 |
1:5 |
53.0 |
10.9 |
2657 |
58.0 |
3402 |
slight |
LUFA 2.4 |
1:40 |
44.9 |
114 |
6536 |
128 |
4346 |
immobile |
LUFA 5M |
1:10 |
29.0 |
53.0 |
5791 |
261 |
4564 |
immobile |
Sodium cocopropylenediamine propionate– Weighted Average Value |
|||||||
LUFA 2.1 |
1:5 |
305 |
8.72 |
1215 |
44.4 |
1716 |
low |
LUFA 2.2 |
1:10 |
371 |
8.24 |
561 |
57.2 |
763 |
medium |
LUFA 2.3 |
1:5 |
427 |
3.80 |
924 |
19.2 |
1220 |
low |
LUFA 2.4 |
1:40 |
354 |
39.4 |
2266 |
92.0 |
1527 |
low |
LUFA 5M |
1:10 |
335 |
17.36 |
1896 |
80.7 |
1661 |
low |
maq(eq) = mass in the aqueous phase at adsorption equilibrium; value was calculated forSodium cocopropylenediamine propionate from measured concentrationsof the active ingredients and taking the respective contents into account
Kdes mean value derived from the desorption isotherms
The test item Sodium cocopropylenediamine propionate adsorbs to all tested soils with Koc values between 561 and 2266 and has therefore a low mobility in soils according to McCallet al. The desorption was not completely reversible.
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