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EC number: 300-326-6 | CAS number: 93925-25-8
- 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
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
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- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- 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
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- Sediment toxicity
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- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
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- Genetic toxicity
- Carcinogenicity
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- 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:
- Between 03 November 2011 and 10 November 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Valid and conclusive guideline study under GLP
- 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))
- Version / remarks:
- Commission Regulation (EC) No. 440/2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- 2001
- Deviations:
- no
- GLP compliance:
- yes
- Remarks:
- Department of Health of Government of the U.K., inspection 19-21 July 2011
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Test temperature:
- 30 °C (column temperature)
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Agilent Technologies 1100, incorporating autosampler and workstation
- Analytical column: Luna 5µ CN 100Å (150 ∙ 4.6 mm id)
- Detection system: UV detector wavelength for dead time and reference standards 210 nm and for the sample 230 nm
MOBILE PHASES
- Type: Methanol : Water (55 : 45 v/v), for the sample, the mobile phase was altered to 100 % tetrahydrofuran after the elution time of DDT to enable elution of the highly retained test item. The flow rate was set to 10 mL/min
- Experiments with additives carried out on separate columns: No
- pH: 6.1
- Solutes for dissolving test and reference substances: Solutions of reference standards were prepared in methanol, while the test item (1001.4 mg) was diluted to 100 mL with tetrahydrofuran (concentration 10,014 mg/L).
DETERMINATION OF DEAD TIME
- Method: By inert substance (formamide, purity according to the supplier 99.94 % at 693 mg/L in the mobile phase) which is not retained by the column
REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, Isoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, α-Endosulfan, Phenanthrene, Diclofop-methyl and DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Injection volume 10 µL with a concentration of 10.014 g/L, i.e. 100.14 µg
- Quantity of reference substances: Injection volume 10 µL with concentrations between 103 and 160 mg/L (see table below ), i.e. 1.03 to 1.6 µg
- Intervals of calibration: Log Koc 1.25, 1.32, 1.81, 1.86, 2.40, 2.59, 2.75, 3.02, 3.31, 4.09, 4.20, 4.09 and 5.63
REPETITIONS
- Number of determinations: 2
EVALUATION
- Calculation of capacity factors: k = (tr-t0)/t0, where t0 = Dead time [min] and tr = Retention time [min]
- Determination of the log Koc value: Log Koc = ((Log k)-A)/B, where A = intercept of the calibration curve, B = slope of the calibration curve - Type:
- Koc
- Value:
- > 426 580 dimensionless
- Temp.:
- 30 °C
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- Temp.:
- 30 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: 2.477, 2.437, 2.741, 2.978, 3.155, 3.467, 4.304, 3.45, 5.166, 5.963, 6.344, 6.923 and 14.905 min
- Details of fitted regression line (Log k' versus. Log Koc): Intercept of the calibration curve: A = -1.0672; Slope of the calibration curve: B = 0.3402, Coefficient of determination of the calibration curve: R² = 0.9615
- Graph of regression line attached as illustration
- Average retention data for test substance: 30.463 min; the test item eluted in a distinctive peak. - Validity criteria fulfilled:
- yes
- Conclusions:
- Strong adsorption to organic matter, Koc >> 427,000 and Log Koc >> 5.63 at 30 °C
- Executive summary:
The adsorption of the test item to organic matter was determined in a GLP-compliant study using HPLC comparison according to the EU C.19 (2008) and OECD TG 121 (2001) protocols. The experiment is deemed valid, conclusive and thus suitable for assessment without restrictions.
The column temperature was 30 °C. Atrazine, Isoproturon, Triadimenol, Linuron, Naphthalene, Fenthion, α-Endosulfan, Phenanthrene, Diclofop-methyl and DDT were used as standard references. The correlation of fit of the established calibration curve (R²) was 0.9615 demonstrating the reliability of the method in the calibration range from Log Koc 1.25 to 5.63. The column temperature was 30 °C.
The test item eluted in one distinctive peak out of the calibration range, after ca. 30 min, while the last standard DDT (Log Koc 5.63) was detected after about 15 min. Accordingly the adsorption of the submission item can be described by Koc >> 427,000 and Log Koc >> 5.63 at 30 °C.
Reference
Table 2: Dead time determination, retention times of formamide
Dead Time |
Retention Time [min] |
Mean Retention Time [min] |
|
Injection 1 |
Injection 2 |
||
Formamide |
2.052 |
2.052 |
2.052 |
Table 3: Retention times, capacity factors (k) and Log Koc values for the reference standards
Standard |
Retention Time [min] |
Mean Retention Time [min] |
Capacity Factor (k) |
Log k |
Log Koc |
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
2.477 |
2.477 |
2.477 |
0.207 |
-0.684 |
1.25 |
Phenol |
2.436 |
2.438 |
2.437 |
0.187 |
-0.727 |
1.32 |
Atrazine |
2.741 |
2.741 |
2.741 |
0.336 |
-0.474 |
1.81 |
Isoproturon |
2.982 |
2.974 |
2.978 |
0.451 |
-0.346 |
1.86 |
Triadimenol |
3.164 |
3.147 |
3.155 |
0.537 |
-0.270 |
2.40 |
Linuron |
3.472 |
3.462 |
3.467 |
0.689 |
-0.162 |
2.59 |
Naphthalene |
4.306 |
4.301 |
4.304 |
1.097 |
0.0402 |
2.75 |
Endosulfan-diol |
3.452 |
3.447 |
3.45 |
0.681 |
-0.167 |
3.02 |
Fenthion |
5.165 |
5.167 |
5.166 |
1.517 |
0.181 |
3.31 |
a-Endosulfan |
5.966 |
5.961 |
5.963 |
1.905 |
0.280 |
4.09 |
Diclofop-methyl |
6.342 |
6.346 |
6.344 |
2.091 |
0.320 |
4.20 |
Phenanthrene |
6.926 |
6.919 |
6.923 |
2.373 |
0.375 |
4.09 |
DDT |
14.905 |
14.905 |
14.905 |
6.262 |
0.797 |
5.63 |
Table 4: Retention times, capacity factors and Log Koc values determined for the test item
Peak |
Retention Time [min] |
Capacity Factor (k) |
Log k |
Log Koc |
||
Injection 1 |
Injection 2 |
Mean |
||||
1 |
30.463 |
30.463 |
30.463 |
> 6.26 |
> 0.797 |
> 5.63 |
Description of key information
Strong adsorption to organic matter, Koc >> 426,000 and Log Koc >> 5.63 at 30 °C (OECD 121)
Strong adsorption to organic matter has been demonstrated, Koc >> 426,000 and Log Koc >> 5.63 at 30 °C. However, water insolubility and ready biodegradation in combination with the strong adsorption mean no relevant concentrations in any compartment can be expected.
Key value for chemical safety assessment
- Koc at 20 °C:
- 426 580
Additional information
- Hollis JM (1991). Mapping the vulnerability of aquifers and surface waters to pesticide contamination at the national/regional scale. Pesticides in Soils and Water: Current Perspectives (Walker A ed), BCPC Monograph 47:165-74.
- McCall PJ, Laskowski DA, Swann RL, Dishburger HJ (1981). Measurement of sorption coefficients of organic chemicals and their use, in environmental fate analysis pages 94-109 IN Test Protocols for Environmental Fate and Movement of Toxicants: 94th annual meeting, October 21, 22, 1980, Washington, DC, U.S.A. ISBN-10 093558420X ISBN-13 978-0935584202. 330 p.
- Swann RL, Laskowski DA, McCall PJ, Vanderkuy K, Dishburger HJ (1983). A rapid Method for the Estimation of the Environmental Parameters Octanol Water Partition-Coefficient, Soil Sorption Constant, Water to Air Ratio, and Water Solubility. ISSN 0080 -181X Residue Reviews 85:17-28.
The adsorption to organic matter was determined in a GLP-compliant study (Fox & White 2012, Harlan Report no. 41103279) using HPLC comparison according to the EU C.19 (2008) and OECD TG 121 (2001) protocols. The experiment is deemed valid, conclusive and thus suitable for assessment without restrictions.
The submission item eluted in one distinctive peak out of the calibration range, after ca. 30 min, while the last standard DDT (Log Koc 5.63) was detected after about 15 min. Accordingly the adsorption of the submission item can be described by Koc >> 427,000 and Log Koc >> 5.63 at 30 °C.
According to classification schemes, the Koc value suggests that the submission item is expected to fall into the “immobile” mobility class (Koc > 5000) according to McCall et al (1981) and Swann et al (1983) or to be “non-mobile” (Koc > 4000) according to Hollis (1991).
Further testing as demanded by the Corrigendum to Regulation (EC) No 1907/2006 of the European parliament and of the council of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), Annex IX, 9.3.3., p L 136/115, published 2007-05-29 in the Official Journal of the European Union can be waived in accordance with column 2 restrictions as:
“The study need not be conducted if:
- the substance and its degradation products decompose rapidly.”
Given the ready biodegradability (Clarke 2011, Harlan Report no. 41103271) of the submission item rapid decomposition is soils seems likely. Therefore further testing can be waived.
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