Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 May - 02 August, 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: A modern GLP study conducted according the appropriate guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report Date:
2014

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Test material form:
liquid
Details on test material:
Commercial name: Linalyl isobutyrate
Chemical name: 3,7-dimethylocta-1,6-dien-3-yl isobutyrate
Empirical formula: C14H24O2
Molecular weight: 224.4 g/mol
EC No.: 201-108-2
CAS No.: 78-35-3
Appearance/physical state: clear colorless liquid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.5
Temp.:
30 °C
pH:
7
Remarks on result:
other: In the absence of any relevant dissociating functional groups, no specific manipulation of the mobile phase pH was necessary to ensure that the test item was in an unionized form. Therefore the determination was performed at an approximately neutral pH.
Details on results:
Note: Testing was performed at 30°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Any other information on results incl. tables

No further data

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol/water) of Linalyl isobutyrate was 3.14 x 10^5, log10 Pow is 5.50.
Executive summary:

The partition coefficient (n-octanol/water) of Linalyl isobutyrate was measured according to OECD Guideline No. 117 (HLPC method).

The partition coefficient (n-octanol/water) of Linalyl isobutyrate was 3.14 x 10^5, log10 Pow is 5.50.