Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
impurity
Type:
impurity
Type:
impurity
Specific details on test material used for the study:
Commercial name : Irone alpha
Givaudan Code No. : 6065003
Chemical nature : 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
Empirical formula : C14H22O
Molecular weight : 206.32 g/mol
CAS No. : 79-69-6
Aspect : colourless to pale yellow liquid
Lot No. : VE00107961
Expiration date : December 20, 2012

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
3.8
Temp.:
35 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
4
Temp.:
35 °C
pH:
7
Details on results:
The chromatograms of the test substance show two main peaks at average retention times of 7.27 minutes (52.6 % relative peak area) and 7.82 minutes (47.4 % relative peak area), corresponding to partition coefficients (log value) of 3.8 and 4.0.

Therefore:
Partition coefficients n-octanol/water of Irone alpha:
log Pow = 3.8 and 4.0;

N.B.: The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Applicant's summary and conclusion

Conclusions:
The Partition Coefficient n-octanol/water of Irone alpha was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

The result is:
Partition coefficients n-octanol/water of Irone alpha: log Pow = 3.8 and 4.0