Registration Dossier
Registration Dossier
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EC number: 455-560-2 | CAS number: -
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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Clear colourless liquid, purity 96.5%.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.4
- Temp.:
- 22 °C
- pH:
- 7
- Details on results:
- Using the Rekker calculation a Pow of 1.58*101 (log Pow 1.2) was calculated. Preliminary test: one test substance peak after 2.5 min: pentamethyl-trioxepane Pow can be determined with HPLC.
Main test: t0=1.107 (mean 1.108 and 1.106). regeression line: log k’=0.524*log Pow – 0.646 (r= 0.988, n=6)
References substances (Log Pow): benzylalcohol (1.1), nitrobenzene (1.9), bromobenzene (3.0), 1,4-dichlorobenzene (3.4), biphenyl (4.0), 1,2,4-trichlorobenzene (4.2). - Conclusions:
- The Rekker calculation and the HPLC method differ more than 0.3 log units. HPLC is more accurate. Therefore that Pow is reported. test substance major component: Pow 2.8*102 (log Pow 2.4) and for the 2 impurities >1% Pow 2.9*101 (log Pow 1.5) and Pow 9.2*102 (log Pow 3.0) at 22 ± 0.5 °C and pH neutral.
- Executive summary:
Test substance major component: Pow2.8*102(log Pow2.4) and for the 2 impurities >1% Pow2.9*101(log Pow1.5) and Pow9.2*102(log Pow3.0) at 22 ± 0.5 °C and pH neutral.
Reference
Description of key information
Test substance major component: Pow2.8*102(log Pow2.4) at 22 ± 0.5 °C and pH neutral.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.4
- at the temperature of:
- 22 °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.
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