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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 700-541-9 | CAS number: 1472634-24-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Remarks:
- Estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 12 JAN 2011 - 12 JAN 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- European Commission Regulation (EC) No. 440/2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- The test partition coefficient n-octanol/water cannot be performed if the substance has a high surface activity. In project 20100675.04 the surface tension of an aqueous solution of the test item was determined to 20.2 mN/m. Due to the fact that the surface tension is lower than 60 mN/m, the test item has surface-active properties.
In addition for strong acids an experimental determination of the partition coefficient n-octanol/water is not applicable, too. According to the Guidelines the measurements can only be performed on ionisable substances in their non-ionised form by using an appropriate buffer with a pH below the pka for the free acid. The latter is not possible as the test item is a strong acid with a calculated pka value of -0.17. - GLP compliance:
- no
- Type of method:
- other: estimation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.9
- Remarks on result:
- other: non ionised form
- Conclusions:
- The calculated value of partition coefficient Pow of the lest item in its non-ionised form is 6.9.
- Executive summary:
An experimental determination of the partition coefficient n-octanol/water was not possible, as the described method (European Commission Regulation No. 440/2008, A.8. and OECD test guidelines 107 and 117) is not suitable for surface active substances and for strong acids. The program kowwinnt (part of episuite, v3.20) was used for calculating the log Pow of the test item. The calculated value of the partition coefficient Pow of the test item is 6.9.
Reference
Description of key information
An experimental determination of the partition coefficient n-octanol/water was not possible, as the described method (European Commission Regulation No. 440/2008, A.8. and OECD Test Guidelines 107 and 117) is not suitable for surface active substances and for streng acids. The program kowwinnt (part of episuite, v3.20) was used for calculating the log Pow of the test item. The calculated value of the partition coefficient Pow of the test item is 6.9.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.9
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.
