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Diss Factsheets
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EC number: 203-662-0 | CAS number: 109-29-5
- 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
- Nanomaterial catalytic activity
- 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
- 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
- Sensitisation
- Repeated dose toxicity
- 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:
- 26 July 2016 - 27 July 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- 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
- Type of method:
- HPLC estimation method
- Media:
- soil
- Specific details on test material used for the study:
- - Appearance: Colourless to very pale yellowish oily liquid when received. Opaque crystalline mass after storage in the refrigerator.
- Storage conditions: In refrigerator (2-8°C) - Details on study design: HPLC method:
- CALCULATION OF PKA
-Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International, USA) for the logarithm range of 1 - 14.
-Result: pKa acidic: none; pKa basic: none.
HPLC CONDITIONS
- Instrument: Acquity UPLC system (Waters, USA)
- Detector: Acquity UPLC TUV (Waters, USA)
- Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp=1.8 μm (Waters, USA)
- Column temperature: 35°C
- Mobile phase: 55/45 (v/v) methanol/water
- Flow: 0.4 mL/min
- Injection volume: 5 μL
- UV detection: 210 nm
UNRETAINED SUBSTANCE, REFERENCE SUBSTANCES AND TEST SUBSTANCE SOLUTIONS
- Unretained substance: formamide
- Reference substances with known log Koc values (log Koc values according to OECD 121, based on soil adsorption data).
- Solutions of the unretained substance and of the reference substances were prepared in the mobile phase (using stock solutions in methanol)
- Test substance solution: A 1000 mg/L solution of the test substance was prepared in methanol.
INJECTIONS
- Solutions of the unretained substance, the reference substances and the test substance were injected in duplicate.
- Single injection of the blank solutions (55/45 (v/v) methanol/water and methanol).
DATA HANDLING
- Dead time (t0)= mean retention time of the unretained substance
- Duplicate capacity factors (k') for each reference substance were calculated from the retention times (tr). k'= (tr-t0)/t0
- Log k’ values of the references substances were plotted against the known log Koc values.
- Linear regression analysis (least squares method) resulted in the regression line log k’ = 0.331 x log Koc - 0.820 (r=0.98, n=16)
- Capacity factor (k') of the substance was calculated from its retention time and the dead time.
- Log Koc of the substance was calculated by substituting its mean log k’ in the regression line.
- The value of log Koc obtained from duplicate measurements was within ± 0.25 log units. - Key result
- Type:
- Koc
- Value:
- 380 000 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: Non-buffered mobile phase.
- Type:
- log Koc
- Value:
- 5.58 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: Non-buffered mobile phase.
- Details on results (HPLC method):
- The chromatogram of the 1 g/L test substance solution showed one peak, with a mean retention time of 17.684 minutes.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The log Koc of the substance was determined to be >5 with an estimated value of 5.58. The respective Koc value is 380000 L/kg.
- Executive summary:
The adsorption potential of the substance was determined in a study according to OECD 121 (HPLC method) and in compliance with GLP criteria. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. Duplicate measurements were performed. Both chromatograms of the test substance solution showed one test substance peak. The corresponding log Koc value was determined to be >5 with an estimated value of 5.58. The respective Koc value is 380000 L/kg.
Reference
Table: Koc of the test item
Substance |
tr,1 [min.] |
tr,2 [min.] |
mean tr [n=2] |
log Koc |
Koc |
Reference substances |
|
|
|
|
|
Formamide (t0) |
1.538 |
1.497 |
1.518 |
- |
- |
Acetanilide |
2.048 |
2.005 |
- |
1.26 |
|
Monuron |
2.555 |
2.501 |
- |
1.99 |
- |
2,5-Dichloroaniline |
2.932 |
2.890 |
- |
2.55 |
- |
Naphthalene |
3.432 |
3.381 |
- |
2.75 |
- |
Benzoic acid phenylester |
4.106 |
4.017 |
- |
2.87 |
- |
Fenthion |
5.637 |
5.540 |
- |
3.31 |
- |
Phenanthrene |
6.264 |
6.123 |
- |
4.09 |
- |
4,4’-DDT |
16.343 |
16.057 |
- |
5.63 |
- |
Test item |
|
|
|
|
|
Test item – peak 1 |
17.785 |
17.582 |
- |
5.58 * |
3.8E+05 |
* Estimated value, calculated by extrapolation of the curve.
Description of key information
The log Koc of the substance was determined to be >5 with an estimated value of 5.58. The respective Koc value is 380000 L/kg.
Key value for chemical safety assessment
- Koc at 20 °C:
- 380 000
Additional information
The adsorption potential of the substance was determined in a study according to OECD 121 (HPLC method) and in compliance with GLP criteria. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. Duplicate measurements were performed. Both chromatograms of the test substance solution showed one test substance peak. The corresponding log Koc value was determined to be >5 with an estimated value of 5.58.The respective Koc value is 380000 L/kg.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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