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EC number: 209-968-0 | CAS number: 599-64-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2009-04-29 to 2009-05-15
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Test procedure in accordance with national standard methods (OECD).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-(α,α-dimethylbenzyl)phenol
- EC Number:
- 209-968-0
- EC Name:
- 4-(α,α-dimethylbenzyl)phenol
- Cas Number:
- 599-64-4
- Molecular formula:
- C15H16O
- IUPAC Name:
- 4-(α,α-dimethylbenzyl)phenol
- Test material form:
- solid
- Details on test material:
- - para-Cumylphenol
- Lot/batch No.: 0852
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.7
- Temp.:
- 23 °C
- pH:
- 5.7
- Details on results:
- see below
Any other information on results incl. tables
Calibration:
| Substances | log Pow | retention time [min] | capacity factor k | log k |
| Acetophenone | 1.7 | 1.95 | 0.620 | -0.21 |
| Phenyl benzoate | 3.6 | 7.29 | 5.059 | 0.70 |
| Diphenyl ether | 4.2 | 11.68 | 8.712 | 0.94 |
| Dibenzyl | 4.8 | 29.78 | 23.757 | 1.38 |
| Fluoranthene | 5.1 | 38.22 | 30.770 | 1.49 |
| Triphenylamine | 5.7 | 72.51 | 59.273 | 1.77 |
Correlation log k and Pow:
Slope: 1.99
Axis intercept: 2.17
Correlation coefficient: 0.998
Measurement:
| 1. Determination | 2. Determination | Mean | |
| Retention time [min] | 8.25 | 8.24 | 8.2 |
| Peak areas | 8993024 | 9214124 | 9103574 |
| Capacity factor k | 5.86 | 5.85 | 5.9 |
| log k | 0.77 | 0.77 | 0.8 |
| log Pow | 3.7 | 3.7 | 3.7 |
Applicant's summary and conclusion
- Conclusions:
- The measured log Pow of Cumylphenol was determined to be 3.7 at 23 °C and a pH of 5.7.
- Executive summary:
The log Pow of the test substance 4-(alpha,alpha-Dimethylbenzyl)phenol 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 3.7 at 23 °C and a pH of 5.7. 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.
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