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:
other: Guideline study, to GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
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:
Reaction mass of diastereoisomers of 1-chloro-5-(1-((5-chloro-3-methylpentyl)oxy)propoxy)-3-methylpentane and diastereoisomers of 4-((5-chloro-3-methylpentyl)oxy)-2,6-diethyl-5-methyl-1,3-dioxane
Molecular formula:
C15H30Cl2O2 and C15H29ClO3
IUPAC Name:
Reaction mass of diastereoisomers of 1-chloro-5-(1-((5-chloro-3-methylpentyl)oxy)propoxy)-3-methylpentane and diastereoisomers of 4-((5-chloro-3-methylpentyl)oxy)-2,6-diethyl-5-methyl-1,3-dioxane
Test material form:
other: liquid
Details on test material:
Commercial Name: Cempacetal
Chemical Nature: 1-chloro-5-(1-((5-chloro-3-methylpentyl)oxy)propoxy)-3-methylpentane
Empirical Formula: C15H30Cl2O2
Molecular Weight: 313.30 g/mol
CAS No.: 1167424-86-3
Aspect: Liquid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.8
Temp.:
35 °C
pH:
7
Details on results:
Note: Testing was performed at 35°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.

Applicant's summary and conclusion

Conclusions:
Partition coefficient n-octanol/water of Cempacetal: logPow = 5.8
Executive summary:

The Partition Coefficient n-octanol/water of Cempacetal 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 coefficient n-octanol/water of Cempacetal: logPow = 5.8