Registration Dossier
Registration Dossier
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EC number: 248-096-5 | CAS number: 26896-48-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, basic data given (reliable source, but very limited reporting)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- : limited reporting
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 1.2 - <= 2.1
- Remarks on result:
- other: Test temperature and pH are not reported. Test substance is not ionizable in aqueous systems. Reported values are the range of values obtained for the individual peaks
- Details on results:
- In the HPLC chromatogram of the test substance, 7 peaks were present. Relative intensities/peak areas are not reported. There is no information on the nature (isomeric character) of the different substances and on the quantitative composition of the test substance mixture.
Log Pow values were determined for individual peaks. The Log Pow values for the distinct peaks fall in the range from 1.2 to 2.1 - Conclusions:
- The test substance proved to be a mixture resolving into seven peaks under HPLC conditions. Relative amounts of individual substances (peak intensities/areas) were not determined/reported. Log Pow values were determined for the individual peaks. The values collected ranged from 1.2 to 2.1.
- Executive summary:
The Log Pow of TCD Alcohol DM (octahydro-4,7-methano-1H-indenedimethanol) was determined using the HPLC method according to OECD test guideline 117 (Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method). Eluent for HPLC was methanol / water 6:4 (v/v).
In HPLC, the test substance mixture was separated into 7 peaks. Peak areas and the relative amount of individual substances are not reported. Log Pow values were determined for individual peaks. The lowest and highest Log Pow values are reported. They are given as 1.2 and 2.1 respectively defining the range of Log Pow values for the distinct substances in the test substance mixture.
Based on the data reported, Log Pow for TCD Alcohol DM will fall in the range between 1.2 and 2.1 (NITE, 2004).
This study is assessed as acceptable. Reporting is limited, but the data source is known to be is reliable and to comply with high standards. Guideline requirements for the determination of Log Pow are satisfied.
Reference
Description of key information
Partition coefficient n-octanol / water (Pow) (OECD 117): log Pow-range 1.2 to 2.1 (given as key value)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.1
Additional information
The Log Pow of TCD Alcohol DM (octahydro-4,7-methano-1H-indenedimethanol) was determined using the HPLC method according to OECD test guideline 117 (Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method). Eluent for HPLC was methanol / water 6:4 (v/v).
In HPLC, the test substance mixture was separated into 7 peaks. Peak areas and the relative amount of individual substances are not reported. Log Pow values were determined for individual peaks. The lowest and highest Log Pow values are reported. They are given as 1.2 and 2.1 respectively defining the range of Log Pow values for the distinct substances in the test substance mixture.
Based on the data reported, Log Pow for TCD Alcohol DM will fall in the range between 1.2 and 2.1 (NITE, 2004).
This study is assessed as acceptable. Reporting is limited, but the data source is known to be is reliable and to comply with high standards. Guideline requirements for the determination of Log Pow are satisfied.
Results of the key study are supported by QSAR analysis:
The Log Pow of Octahydro-4,7-methano-1H-indenedimethanol (TCD-Alcohol DM) was estimated to be 1.9069 (Pow = 80.7) using the program EPI Suite (v 3.20), program component KOWWIN (v1.67) (GUBDH, 2008).
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.
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