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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2009-04-30 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:
2009
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

Constituent 1
Chemical structure
Reference substance name:
Phenol, dodecyl-, branched
EC Number:
310-154-3
EC Name:
Phenol, dodecyl-, branched
Cas Number:
121158-58-5
Molecular formula:
C18H30O
IUPAC Name:
4-(3,4,5-trimethylheptyl)phenol
Details on test material:
- Name of test material: Dodecylphenol
- Lot/batch No.: 0805

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
6.1
Temp.:
23 °C
pH:
7.1
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 1.44 0.196 -0.71
phenyl benzoate 3.6 2.04 0.694 -0.16
diphenyl ether 4.2 2.53 1.107 0.04
dibenzyl 4.8 3.83 2.189 0.34
fluoranthene 5.1 4.84 3.029 0.48
triphenylamine 5.7 5.61 3.667 0.56

Correlation log k and Pow:

Slope: 2.94

Axis intercept: 3.91

Correlation coefficient: 0.993

Measurement:

   Component 1  Component 2 Component 3  Average
Retention time [min]  5.42 6.62 8.85  
 Peak areas [%] 8.72 26.29 64.99  
 Capacity factor k  3.51 4.51 6.37  
 log k  0.55 0.65 0.8  
 log Pow 5.51 5.83 6.27 6.1

Applicant's summary and conclusion

Conclusions:
The measured log Pow of Dodecylphenol was determined to be 6.1 at 23 °C and a pH of 7.1.
Executive summary:

The log Pow of the test substance Dodecylphenol 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 average log Pow was determined to be 6.1 at 23 °C and a pH of 7.1. 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 0.993.

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