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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 269-537-8 | CAS number: 68298-05-5
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)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- The determination was carried out by the shake-flask method, using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The test system consisted of an aqueous and an n-octanol phase in the same vessel. A defined amount of test item was added (pre-dissolved in the appropriate phase). Partition of the test item between both phases was achieved by inversion of the mixture. The temperature was in the range of 20 °C to 25 °C and kept constant (±1 °C). - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- mass spectrometry
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.964
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: Value for cation
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.023
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: Value for cation
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.26
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: Value for anion
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.085
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: Value for anion
- Conclusions:
- The partition coefficient of the propan-1-ol,2-amino-2-methyl-, 4-methylbenzenesulphonate has been determined at pH 7 and 23.0 ± 1.0 °C for both components of the test item (cation and anion) using flask method. Pow for cation was determined to be 0.964, Pow for anion was determined to be 1.26.
- Executive summary:
The partition coefficient of the propan-1-ol,2-amino-2-methyl-, 4-methylbenzenesulphonate has been determined at pH 7 and 23.0 ± 1.0 °C for both components of the test item (cation and anion) using flask method. Pow for cation was determined to be 0.964, Pow for anion was determined to be 1.26.
Reference
Description of key information
The partition coefficient of the propan-1-ol,2-amino-2-methyl-, 4-methylbenzenesulphonate has been determined at pH 7 and 23.0 ± 1.0 °C for both components of the test item (cation and anion) using flask method. Pow for cation was determined to be 0.964, Pow for anion was determined to be 1.26.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.023
- at the temperature of:
- 23 °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.
