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EC number: 205-426-2 | CAS number: 140-66-9
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:
- from 2009-12-08 to 2009-12-10
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 22 °C
- pH:
- 6.6
- Details on results:
- see below
- Conclusions:
- The measured log Pow of Octylphenol was determined to be 4.8 at 22 °C and a pH of 6.6.
- Executive summary:
The log Pow of the test substance Octylphenol was determined according to OECD Guideline for Testing of Chemicals No. 117 "Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method", adopted 13 April 2004.
The log Pow was determined to be 4.8 at 22 °C and a pH of 6.6. As reference substances were used: acetophenone, phenyl benzoate, diphenyl ether, dibenzyl, fluoranthene and triphenylamine with the respective log Pow: 1.7, 3.6, 4.2, 4.8, 5.1 and 5.7. The calibration showed a correlation coefficient of 0.998.
Reference
Calibration:
| Substances | log Pow | retention time[min] | capacity factork | log k |
| acetophenone | 1.7 | 1.88 | 0.527 | -0.28 |
| phenyl benzoate | 3.6 | 6.91 | 4.627 | 0.67 |
| diphenyl ether | 4.2 | 11.12 | 8.055 | 0.91 |
| dibenzyl | 4.8 | 28.47 | 22.181 | 1.35 |
| fluoranthene | 5.1 | 37.14 | 29.241 | 1.47 |
| triphenylamine | 5.7 | 68.20 | 54.535 | 1.74 |
Correlation log k and Pow:
Slope: 1.95
Axis intercept: 2.29
Correlation coefficient: 0.998
Measurement:
| 1. Determination | 2. Determination | Mean | |
| Retention time [min] | 23.95 | 23.92 | 23.9 |
| Peak areas | 3143891 | 3268007 | 3205949 |
| Capacity factor k | 18.50 | 18.48 | 18.49 |
| log k | 1.27 | 1.27 | 1.27 |
| log Pow | 4.8 | 4.8 | 4.8 |
Description of key information
The log Pow was determined to be 4.8 at 22 °C and a pH of 6.6. As reference substances were used: acetophenone, phenyl benzoate, diphenyl ether, dibenzyl, fluoranthene and triphenylamine with the respective log Pow: 1.7, 3.6, 4.2, 4.8, 5.1 and 5.7. The calibration showed a correlation coefficient of 0.998.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.8
- at the temperature of:
- 22 °C
Additional information
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