Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
17.08.2004 to 07.12.2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP- Study performed
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Qualifier:
according to guideline
Guideline:
other: OECD 105 Octanol solubility study performed
Deviations:
yes
Principles of method if other than guideline:
To determine the solubility of the test substance in n-octanol. It should be noted that the above test was conducted in lieu of the octanol/water partition coefficient determination (OECD 107) because the test substance is known to.be hydrolytically unstable in water. More details of the hydrolysis are given in the preamble to OECD Method 106.
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Calculated from solubility in water and solubility in octanol
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
OS Menthol Ester
IUPAC Name:
OS Menthol Ester
Constituent 2
Chemical structure
Reference substance name:
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
EC Number:
604-569-1
Cas Number:
147126-62-3
Molecular formula:
C14H24O4S
IUPAC Name:
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
Test material form:
solid: compact

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.18
Remarks on result:
other: calculated
Details on results:
The water solubility of the test substance was determined to be 0.054 ± 0.003 grams/litre. The octanol solubility was determined to be 81.1 ± 0.6 grams/litre (Section 10 ofthis report). The Pow was calculated to be 1502 ± 95, The error was the pooled variability inthe individual water and octanol solubilities. The overall mean Log Pow was calculated to be 3.18.

Applicant's summary and conclusion

Conclusions:
Based on individual determinations of the water and octanol solubility of the test substance, we concluded that the log Paw of the test substance was 3.18.