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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 202-417-5 | CAS number: 95-41-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Physical Appearance: Almost colourless to yellow-brown liquid
- Date of Expiry: 01-08-2018
- Storage Condition: Ambient (21 to 29°C) - Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Temp.:
- 23.2 °C
- pH:
- >= 6.69 - <= 6.82
- Details on results:
- - Specificity/Selectivity: Specificity meets the acceptance criterion as the interference obtained for pre-saturated n-Octanol, pre-saturated Milli-Q water, and Diluent was 8.11, 8.24, and 0.71, respectively, which is < 30% of the standard response at LOQ.
- Limit of Detection (LOD) and Limit of Quantification (LOQ): The LOD was considered at 10.29 mg/L. The LOQ was considered at 25.72 mg/L, where pre-saturated n-octanol blank and pre-saturated Milli-Q water were used to determine the noise.
- Linearity meets the acceptance criterion as the correlation coefficient obtained was 0.998 which is ≥ 0.99.
- Accuracy (% Recovery) and Precision (% RSD): Recovery meets the acceptance criterion as the % recovery obtained in pre-saturated n-octanol was 109.84% for LOQ and 105.28% for 10 LOQ which is in the range 70% to 110 % of the nominal concentration. Recovery meets the acceptance criterion as the % recovery obtained in pre-saturated Milli-Q water was 109.08% for LOQ and 93.47% for 10 LOQ which is in the range 70% to 110 % of the nominal concentration. Precision meets the acceptance criterion as the % RSD obtained in pre-saturated n-octanol was 1.41% for LOQ and 4.13% for 10 LOQ which is ≤ 20%.
- Precision meets the acceptance criterion as the % RSD obtained in pre-saturated Milli-Q water was 0.36% for LOQ and 1.90% for 10 LOQ which is ≤ 20%.
- Determination of Partition Coefficient: The ratio of n-Octanol: Milli-Q water used in the study was 1:1, 1:2 and 2:1 resulting in log partition coefficients (log Pow) values of 2.30, 2.60, and 1.98 respectively. The mean log partition coefficient (log Pow) of the test item was 2.30 at 23.2°C.
Reference
Description of key information
The log Pow value of the test item is 2.30.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.3
- at the temperature of:
- 23.2 °C
Additional information
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.
