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EC number: 284-325-5 | CAS number: 84852-15-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2009-04-28 to 2009-05-15
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
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:
- Phenol, 4-nonyl-, branched
- EC Number:
- 284-325-5
- EC Name:
- Phenol, 4-nonyl-, branched
- Cas Number:
- 84852-15-3
- Molecular formula:
- C15H24O
- IUPAC Name:
- 4-(2,4-dimethylheptan-3-yl)phenol
- Reference substance name:
- Nonylphenol
- EC Number:
- 246-672-0
- EC Name:
- Nonylphenol
- Cas Number:
- 25154-52-3
- IUPAC Name:
- 2-nonylphenol
- Details on test material:
- - Name of test material (as cited in study report): Nonylphenol
- Substance type: pure active substance
- Physical state: no data
- Analytical purity: no data
- Lot/batch No.: 2008-01-22
- Expiration date of the lot/batch: no data
- Stability under test conditions: no data
- Storage condition of test material: no data
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 5.4
- 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 factork | 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] | 51.33 | 51.39 | 51.4 |
| Peak areas | 15454866 | 15441582 | 15448174 |
| Capacity factor k | 41.67 | 41.72 | 41.7 |
| log k | 1.62 | 1.62 | 1.6 |
| log Pow | 5.4 | 5.4 | 5.4 |
Applicant's summary and conclusion
- Conclusions:
- The measured log Pow of Nonylphenol was determined to be 5.4 at 23 °C and a pH of 5.7.
- Executive summary:
The log Pow of the test substance Nonylphenol 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 5.4 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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