Registration Dossier
Registration Dossier
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EC number: 203-385-5 | CAS number: 106-32-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016-07-05 to 2017-01-12
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.47
- Temp.:
- 22.7 °C
- Remarks on result:
- other: mean of 2 calibrations, details on the results are available in the section 'Any other information on the results'
- Conclusions:
- The test item has a log Pow value of 4.47 at 22.7°C
- Executive summary:
The partition coefficient of the test substance was determined according to OECD 117, HPLC method. For the calibration, 7 reference substances plus sodium nitrate for the void time were injected. Two valid calibration curves were set up. A solution of 3000 mg/L test item was prepared and injected twice. The average log Pow value was found to be 4.47 at 22.7°C.
Reference
The retention times for the reference items are given below:
| Reference item | log Pow | 1st calibration | 2nd calibration | ||||
| retention time | k | log k | retention time | k | log k | ||
| Anisole | 2.1 | 2.498 | 4.09 | 0.612 | 2.508 | 4.11 | 0.614 |
| Allyl phenyl ether | 2.9 | 3.752 | 6.64 | 0.822 | 3.769 | 6.68 | 0.825 |
| Ethylbenzene | 3.2 | 5.278 | 9.75 | 0.989 | 5.299 | 9.79 | 0.991 |
| Isopropylbenzene | 3.7 | 7.071 | 13.4 | 1.13 | 7.104 | 13.5 | 1.13 |
| n-Butylbenzene | 4.6 | 12.127 | 23.7 | 1.37 | 12.175 | 23.8 | 1.38 |
| Fluoranthene | 5.1 | 14.667 | 28.9 | 1.46 | 14.710 | 29.0 | 1.46 |
| Triphenylamine | 5.7 | 21.954 | 43.7 | 1.64 | 22.067 | 43.9 | 1.64 |
The void time was found to be 0.491 on average (n=3).
The r values for the calibration are > 0.995
The details on the measurement of the test sample are:
| log Pow | |||||
| retention time | k | log k | 1st calibration | 2nd calibration | |
| 10.464 | 20.3 | 1.31 | 4.47 ± 0.06 | 4.46 ± 0.06 | |
| 10.463 | 20.3 | 1.31 |
|
||
Mean: 10.464 |
20.3 |
1.31 |
4.47 |
|
|
Description of key information
The octanol-water partition coefficient was determined experimentally according to OECD 117, HPLC method. The log Pow of the test item was found to be 4.47.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.47
- at the temperature of:
- 22.7 °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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