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EC number: 946-882-9 | 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
- 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
- Remarks:
- adsorption
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 21 Jan - 20 May 1999
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Read across study
- Justification for type of information:
- Based on its composition and physico chemical properties, fatty acids, C5-9, hexaesters with dipentaerythritol is considered to be a suitable read across substance to address the adsorption endpoint of the test substance, fatty acids, C9, hexaesters with dipentaerythritol.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- other: OECD draft document (1997): Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using HPLC.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom 21 Jul 1998 (date of inspection 23 Mar 1998)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Test temperature:
- Column temperature: 40 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: Hewlett-Packard 1050
- Type, material and dimension of analytical (guard) column: Hypersil 5 µm CN-BDS, 250 mm x 4.6 mm
- Detection system: UV at 210 nm
MOBILE PHASES
- Type: 55% methanol/45% water (v/v)
- Solutes for dissolving test and reference substances: The test and reference substances were dissolved in methanol.
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide.
REFERENCE SUBSTANCES
- Identity: Acetaniline, phenol, atrazine, linuron, naphthalene, endosulphan-alcohol, fenthion, alpha-endosulfan, phenanthrene, diclofop-methyl, DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 - 25 µl of 10 g/L test substance solution
- Quantity of reference substances: 10 - 25 µl of 92 - 172 mg/L reference substance solutions
REPETITIONS
- Number of determinations: 2
EVALUATION
- Calculation of capacity factors k': capacity factor = (retention time - dead time)/dead time
- Calculation of retention times: experimental determination
- Determination of the log Koc value: calibration curve - Key result
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- Temp.:
- 40 °C
- Type:
- Koc
- Value:
- 426 579.5 L/kg
- Temp.:
- 40 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: Formamide 3.198 min, acetaniline 3.52 min, phenol 3.488 min, atrazine 4.004 min, linuron 4.479 min, naphthalene 5.125 min, endosulphan-alcohol 6.248 min, fenthion 6.804 min, alpha-endosulfan 12.814 min, phenanthrene 8.498 min, diclofop-methyl 12.288 min, DDT 36.506 min
- The test material components were found to bond so strongly to the HPLC column's stationary phase that they failed to elute over the run time covered by the calibration. To force the components to elute, the polarity of the mobile phase was reduced by increasing the organic solvent content to 100%; this adjustment to the aluent was made at a run time greater than the retention time of DDT.
- Details for calibration curve: r2 = 0.99 - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the study conditions, the retention time of the test substance exceeded the range of the calibration curve, therefore the log Koc was considered to be > 5.63, the highest log Koc of the reference substances.
- Executive summary:
A study was conducted to determine the log Koc of the read across substance, fatty acids, C5-9, hexaesters with dipentaerythritol, according to the OECD draft document (1997): ‘Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using HPLC’, in compliance with GLP. Its individual constituents were found to bond so strongly to the HPLC column stationary phase that they failed to elute over the time covered by the calibration. To force components to elute, the polarity of the mobile phase was reduced by increasing the organic solvent content to 100%; this adjustment to the eluent was made at a run time greater than the retention time of DDT. The retention times of the 11 reference substances used for calibration were as follows: formamide 3.198 min, acetaniline 3.52 min, phenol 3.488 min, atrazine 4.004 min, linuron 4.479 min, naphthalene 5.125 min, endosulphan-alcohol 6.248 min, fenthion 6.804 min, alpha-endosulfan 12.814 min, phenanthrene 8.498 min, diclofop-methyl 12.288 min, DDT 36.506 min. Under the study conditions, the retention time of the test substance exceeded the range of the calibration curve, therefore the log Koc was considered to be > 5.63, the highest log Koc of the reference substances (Lumsden, 2000).
Reference
Table 1: Results for the test substance
Injection |
Retention time (min) |
Capacity factor (k) |
log k |
log Koc |
1 |
> 36.506 |
> 10.415 |
> 1.018 |
> 5.63 |
2 |
> 36.506 |
> 10.415 |
> 1.018 |
> 5.63 |
Table 2: The capacity factor (k) and log Koc values for the reference standards that were used to establish the calibration curve
Reference standard |
Capacity factor (k) |
log k |
log Koc |
Acetaniline |
0.101 |
- 0.997 |
1.25 |
Phenol |
0.09053 |
- 1.043 |
1.32 |
Atrazine |
0.252 |
- 0.599 |
1.81 |
Linuron |
0.485 |
- 0.314 |
2.59 |
Naphthalene |
0.603 |
- 0.220 |
2.75 |
Andosulphan-alcohol |
0.954 |
- 0.02058 |
3.02 |
Fenthion |
1.127 |
0.05209 |
3.31 |
Alpha endosulfan |
3.007 |
0.478 |
4.09 |
Phenanthrene |
1.657 |
0.219 |
4.09 |
Diclofop-methyl |
2.842 |
0.454 |
4.20 |
DDT |
10.415 |
1.018 |
5.63 |
Description of key information
Log Koc > 5.63.
Key value for chemical safety assessment
Additional information
A study was conducted to determine the log Koc of the read across substance, fatty acids, C5-9, hexaesters with dipentaerythritol, according to the OECD draft document (1997): ‘Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using HPLC’, in compliance with GLP. Its individual constituents were found to bond so strongly to the HPLC column stationary phase that they failed to elute over the time covered by the calibration. To force components to elute, the polarity of the mobile phase was reduced by increasing the organic solvent content to 100%; this adjustment to the eluent was made at a run time greater than the retention time of DDT. The retention times of the 11 reference substances used for calibration were as follows: formamide 3.198 min, acetaniline 3.52 min, phenol 3.488 min, atrazine 4.004 min, linuron 4.479 min, naphthalene 5.125 min, endosulphan-alcohol 6.248 min, fenthion 6.804 min, alpha-endosulfan 12.814 min, phenanthrene 8.498 min, diclofop-methyl 12.288 min, DDT 36.506 min. Under the study conditions,the retention time of the test substance exceeded the range of the calibration curve, therefore the log Koc was considered to be > 5.63, the highest log Koc of the reference substances (Lumsden, 2000).
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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