Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 252-563-9 | CAS number: 35441-13-5
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- February from 07 to 08, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- adopted 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.24 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 01 March 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.53
- Temp.:
- 25 °C
- pH:
- ca. 7
- Details on results:
- The estimated log Pow resulted between 0 to 6; the extrapolated log Pow value calculated to be 3.53 at 25 °C and pH ca 7.
The three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using eight reference items. The capacity factors (k) were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. - Conclusions:
- logPow: 3.53 at 25 °C and pH ca 7
- Executive summary:
The partition coefficient (Pow) of test item was determined using high performance liquid chromatography, according to the OECD guideline 117.
Three series of the reference solutions were measured with two parallel injections, each and three series of the test item solution were measured with two parallel injections each. The three calibration series and three test item series were measured alternately. For the determination of t0 (t0 = retention time of the unretarded component) three series of Thiourea solution was injected twice. The partition coefficient Pow was determined based on a calibration curve using eight reference items. The capacity factors (k) were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values.
The estimated log Pow resulted between 0 to 6; the extrapolated log Pow value calculated to be 3.53 at 25 °C and pH ca 7.
Conclusion
logPow: 3.53 at 25 °C and pH ca 7
Reference
Mean of the measured and calculated data of the reference substances
Chemical name | log Pow | Retention time (min) | log k Calculated | Repeatability Δlog Pow log unit | Accuracy log unit | log PowCalculated |
Thiourea | - | 3.201 | - | - | - | - |
Acetanilide | 1 | 3.722 | -0,788 | 0.02 | 0.3 | 0.7 |
Phenol | 1.5 | 3.952 | -0.630 | 0.02 | 0.3 | 1.2 |
Acetophenone | 1.7 | 4.555 | -0.374 | 0.005 | 0.2 | 1.9 |
Methyl benzoate | 2.1 | 5.228 | -0.198 | 0.004 | 0.3 | 2.4 |
Ethyl benzoate | 2.6 | 6.164 | -0.034 | 0.006 | 0.3 | 2.9 |
Diphenylamine | 3.4 | 7.105 | 0.086 | 0.001 | 0.1 | 3.3 |
Naphthalene | 3.6 | 8.085 | 0.184 | 0.005 | 0.1 | 3.5 |
Phenanthrene | 4.5 | 12.695 | 0.472 | 0.01 | 0.1 | 4.4 |
Description of key information
logPow: 3.53 at 25 °C and pH ca 7
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.53
- at the temperature of:
- 25 °C
Additional information
OECD 117 - HPLC method
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.