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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 May 2014 - 24 July 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
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Linalyl formate
EC Number:
204-120-6
EC Name:
Linalyl formate
Cas Number:
115-99-1
Molecular formula:
C11H18O2
IUPAC Name:
linalyl formate
impurity 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
Cas Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
impurity 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
Cas Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-ol
Test material form:
liquid
Details on test material:
- Name of test material (as cited in study report):Linalyl formate
- Molecular formula: C11H18O2
- Molecular weight: 182.3 g/mol
- Physical state: clear colorless liquid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
5 140
Temp.:
30 °C
pH:
ca. 6.6
Key result
Type:
log Pow
Partition coefficient:
3.71
Temp.:
30 °C
pH:
ca. 6.6
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 formate was 5.14 x 10^3, log10 Pow 3.71.
Executive summary:

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

The partition coefficient (n-octanol/water) of Linalyl formate was 5.14 x 10^3, log10 Pow 3.71.