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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
6 December 1994 and 14 April 1995
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1995
Report date:
1995

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
The work described was performed in compliance with the UK Principles of Good Laboratory Practice (The United Kingdom Compliance Programme, Department of Health 1989).
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
A mixture of isomers of branched tetracosane
EC Number:
417-060-2
EC Name:
A mixture of isomers of branched tetracosane
Cas Number:
151006-61-0
Molecular formula:
C24 H50
IUPAC Name:
A mixture of isomers of branched tetracosane

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 4.82
Temp.:
21 °C
pH:
6.3

Any other information on results incl. tables

Results

The preliminary test determined the partition coefficient to be greater than 1.7E4, Log10Pow = >4.2.

The peak areas of the standard and sample solutions are shown below:

Organic phase

Solution Mean peak area
Standard 199 mg/l 9.213E+05
Standard 198 mg/l 9.282E+05
Sample 1 9.387E+05
Sample 2 9.435E+05
Sample 3 9.129E+05
Sample 4 9.094E+05
Sample 5 9.142E+05
Sample 6 9.014E+05
Stock solution A 9.333E+05
Stock solution B 9.226E+05

Aqueous phase

Solution Mean peak area
Standard 24.8 mg/l 1.124E+04
Standard 24.7 mg/l 1.107E+04
Sample 1 <2.200E+04
Sample 2 <2.200E+04
Sample 3 <2.200E+04
Sample 4 <2.200E+04
Sample 5 <2.200E+04
Sample 6 <2.200E+04

Volume of water (ml) Total weight (mg) n-Octanol phase Water phase
Analysed concentration (mg/l) Total weight (mg) Analysed concentration (mg/l) Total weight (mg) pH
400 82.9 3.35E+03 83.8 < 4.89E-2 < 1.95E-2 6.5
400 82.9 3.37E+03 84.3 < 4.89E-2 < 1.95E-2 6.2
400 166 3.26E+03 163 < 4.89E-2 < 1.95E-2 6.6
400 166 3.25E+03 162 < 4.89E-2 < 1.95E-2 6.2
400 332 3.27E+03 327 < 4.89E-2 < 1.95E-2 6.5
400 332 3.22E+03 322 < 4.89E-2 < 1.95E-2 6.3

Temperature = 21.0 +/- 0.5 deg C

pH of n-Octanol saturated water = 6.3

Calculations

Sample number n-Octanol/water volume ratio Partition coefficient Log10 Pow Mean partition coefficient
1 01:16 > 6.86E4 >4.84 >6.86E4
2 01:16 > 6.86E4 >4.84
3 01:08 > 6.86E4 >4.82 >6.65E4
4 01:08 > 6.86E4 >4.82
5 01:04 > 6.86E4 >4.83 >6.59E4
6 01:04 > 6.86E4 >4.82

mean = >6.59E4 Log10 Pow = >4.82

Applicant's summary and conclusion

Conclusions:
The partition coefficient of Alkane 2 has been determined to be greater than 6.59E4 ar 21 deg C. Log10 Pow = >4.82.
Executive summary:

The peak areas of the pair of standards associated with a particular sample were corrected to nominal concentration and the mean value taken prior to the calculation of the sample concentrations.

The experimental procedure used complied with that specified in Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).

The partition coefficient of Alkane 2 has been determined to be greater than 6.59E4 at 21 deg C. Log10 Pow = >4.82.