Registration Dossier
Registration Dossier
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EC number: 300-644-5 | CAS number: 93951-21-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- see read across justification in section 13
- Reason / purpose for cross-reference:
- read-across source
- Computational methods:
- Adsorption coefficient per organic carbon (Koc):
The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient KOC.
log Koc=a+bxlogk
- Key result
- Type:
- log Koc
- Value:
- < 1.25
- Details on results (HPLC method):
- log KOC of the Test Item – 1. Measurement
Test Item 1. Inj. tR in min k Log k log KOC
Reaktiv Schwarz 5 2.52 -0.22 < -0.53 < 1.251)
*1): below log KOC value of the lowest calibration substance (acetanilide)
Calibration Data - 2. Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance 2. Inj. tR in min k log k log KOC *
Acetanilide 4.20 0.29 -0.53 1.25
Atrazin 4.61 0.42 -0.38 1.81
Monuron 4.92 0.52 -0.29 1.99
Triadimenol 5.76 0.78 -0.11 2.40
Linuron 6.58 1.03 0.01 2.59
Pyrazophos 8.99 1.77 0.25 3.65
Diclofop-methyl 11.07 2.41 0.38 4.20
4’4 DDT 22.42 5.91 0.77 5.63
Table 5: log KOC of the Test Item – 2. Measurement
Test Item 2. Inj. tR in min k Log k log KOC
Reaktiv Schwarz 5 2.52 -0.22 < -0.53 < 1.251)
*1): below log KOC value of the lowest calibration substance (acetanilide)
log KOC of the Test Item
log KOC
1. Measurement <1.25
2. Measurement <1.25
Mean <1.25 - Adsorption and desorption constants:
- not applicable
- Recovery of test material:
- not applicable
- Concentration of test substance at end of adsorption equilibration period:
- not applicable
- Concentration of test substance at end of desorption equilibration period:
- not applicable
- Transformation products:
- no
- Details on results (Batch equilibrium method):
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- log Koc < 1.25
- Executive summary:
The adsorption coefficient of the test item was determined according to the “HPLC- method” described in the European Commission Regulation (EC) No. 440/2008.
The adsorption coefficient of the test item was found to be: log KOC < 1.25
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- September 03, 2009 to September 10, 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study (OECD, etc.)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 25°C
- Details on study design: HPLC method:
- HPLC equipment: HPLC System Agilent 1100 series: HPLC pump G1311A, autosampler G1313A, column oven G1316A, degaser G1322A and UV/Vis detector G1314A by Agilent
Column: Stationary phase: LiChrospher 100 CN 5µm by Duratec (15408-07)
particle size: 5 µm, pore size: 100 Å
material: stainless steel, dimensions: 250 mm x 4.6 mm
column temperature: 25 °C
Mobile Phase: Methanol / KH2PO4 (c=0.05 mol/l) 50:50 % (v/v) (pH = 4.0),
isocratic elution
Flow rate: 1.0 mLl/min
Injection volume: 10 µL
Detection wavelength: 250 nm (dead time marker)
250 nm (calibration substances)
600 nm (test item)
Injection amounts: Dead time marker: 224.4 µg
Calibration substances: 0.70 – 1.46 µg
Test item: 0.032 µg
The dead time marker was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The calibration substances were dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The item was dissolved in methanol and diluted from 1 ml to 10 mL with methanol and again from 0.5 mL to 1 mL with buffer solution (c(KH2PO4) = 0.5 mol/l) and injected as single sample twice.
Determination of the Dead Time t0
Dead time marker tR in min
1. Measurement tR in min
2. Measurement tR in min
Mean
Formamide 3.24 3.24 3.24
Dead time: t0 = 3.24 min
Table 2: Calibration Data – 1. Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance 1. Inj. tR in min k log k log KOC *
Acetanilide 4.19 0.29 -0.53 1.25
Atrazin 4.60 0.42 -0.38 1.81
Monuron 4.92 0.52 -0.29 1.99
Triadimenol 5.76 0.78 -0.11 2.40
Linuron 6.58 1.03 0.01 2.59
Pyrazophos 8.99 1.77 0.25 3.65
Diclofop-methyl 11.07 2.41 0.38 4.20
4’4 DDT 22.39 5.90 0.77 5.63 - Analytical monitoring:
- yes
- Details on sampling:
- The dead time marker was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The calibration substances were dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice.
The item was dissolved in methanol and diluted from 1 ml to 10 ml with methanol and again from 0.5 ml to 1 ml with buffer solution (c(KH2PO4) = 0.5 mol/l) and injected as single sample twice. - Details on matrix:
- not applicable - HPLC Method
- Details on test conditions:
- not applicable
- Computational methods:
- Adsorption coefficient per organic carbon (Koc):
The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient KOC.
log Koc=a+bxlogk
- Type:
- log Koc
- Value:
- < 1.25
- Details on results (HPLC method):
- log KOC of the Test Item – 1. Measurement
Test Item 1. Inj. tR in min k Log k log KOC
Reaktiv Schwarz 5 2.52 -0.22 < -0.53 < 1.251)
*1): below log KOC value of the lowest calibration substance (acetanilide)
Calibration Data - 2. Measurement
(*from OECD guideline 121, adopted January 2001)
Calibration substance 2. Inj. tR in min k log k log KOC *
Acetanilide 4.20 0.29 -0.53 1.25
Atrazin 4.61 0.42 -0.38 1.81
Monuron 4.92 0.52 -0.29 1.99
Triadimenol 5.76 0.78 -0.11 2.40
Linuron 6.58 1.03 0.01 2.59
Pyrazophos 8.99 1.77 0.25 3.65
Diclofop-methyl 11.07 2.41 0.38 4.20
4’4 DDT 22.42 5.91 0.77 5.63
Table 5: log KOC of the Test Item – 2. Measurement
Test Item 2. Inj. tR in min k Log k log KOC
Reaktiv Schwarz 5 2.52 -0.22 < -0.53 < 1.251)
*1): below log KOC value of the lowest calibration substance (acetanilide)
log KOC of the Test Item
log KOC
1. Measurement <1.25
2. Measurement <1.25
Mean <1.25 - Adsorption and desorption constants:
- not applicable
- Recovery of test material:
- not applicable
- Concentration of test substance at end of adsorption equilibration period:
- not applicable
- Concentration of test substance at end of desorption equilibration period:
- not applicable
- Transformation products:
- no
- Details on results (Batch equilibrium method):
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- log Koc < 1.25
- Executive summary:
The adsorption coefficient of the test item was determined according to the “HPLC- method” described in the European Commission Regulation (EC) No. 440/2008.
The adsorption coefficient of the test item was found to be: log KOC < 1.25
Referenceopen allclose all
: log KOCof the Test Item
|
log KOC |
1. Measurement |
<1.25 |
2. Measurement |
<1.25 |
Mean |
<1.25 |
: log KOCof the Test Item
|
log KOC |
1. Measurement |
<1.25 |
2. Measurement |
<1.25 |
Mean |
<1.25 |
Description of key information
The test substance does not adsorb to sludge or soil
Key value for chemical safety assessment
- Koc at 20 °C:
- 17.8
Additional information
The adsorption coefficient of the test item was determined according to the “HPLC- method” described in the European Commission Regulation (EC) No. 440/2008.
The adsorption coefficient of the test item was found to be: log KOC < 1.25
[LogKoc: 1.25]
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