Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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: 204-465-2 | CAS number: 121-33-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR but used for the weight of evidence
- Justification for type of information:
- QSAR prediction.
- Principles of method if other than guideline:
- other (calculated)
- Partition coefficient type:
- other: calculated
- Type:
- log Pow
- Partition coefficient:
- 1.29 - 1.33
- Remarks on result:
- other: no data available on pH and T°C
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Remarks:
- Studies not well documented but meet the general OECD Guideline 107 requirements.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 1.17
- Temp.:
- 25 °C
- Remarks on result:
- other: no information on pH
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Remarks:
- Study not well documented but meets the general OECD Guideline 107 requirements.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- 1.21
- Temp.:
- 25 °C
- Remarks on result:
- other: no data available on pH
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Guideline:
- other: no data
- Type:
- log Pow
- Partition coefficient:
- 1.21
- Remarks on result:
- other: no data available on pH and T°C
Referenceopen allclose all
No information on pH and temperature.
No raw data is given.
No information on pH.
No information on pH and temperature.
Description of key information
Experimental data: 1.17 to 1.21 (at 25°C)
Calculated values: 1.29 to 1.33
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.17
- at the temperature of:
- 25 °C
Additional information
Different values from literature are reported. No key study is selected and a "weight of evidence" approach is applied.
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.
