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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
18 September 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 5.7
Temp.:
20 °C
pH:
ca. 7
Details on results:
LANKROPLAST ED6 appeared to partially after sonication in the mobile phase of 80:20 acetonitrile:water used in this study. However there was no measureable log Pow in this study since no peaks were detected. As no peaks were detected and the limited solubility of LANKROFLEX ED6 in the mobile phase would suggest that the log Pow value is greater than the highest standard used (Triphenylamine), which has a log Pow value of 5.7.

HPLC mean retention times and Log Pow data for reference compounds used in study CES100002.

Reference compound

Detector

Mean retention time (mins)

Calculated log Pow

Thiourea

DAD

2.023

 

Naphthalene

DAD

4.231

3.58

Biphenyl

DAD

4.859

4.05

Phenanthrene

DAD

5.796

4.58

Bibenzyl

DAD

5.964

4.66

Fluoranthene

DAD

6.963

5.09

Triphenylamine

DAD

9.055

5.75

Conclusions:
LANKROPLAST ED6 appeared to partially after sonication in the mobile phase of 80:20 acetonitrile:water used in this study. However there was no measureable log Kow in this study since no peaks were detected. As no peaks were detected and the limited solubility of LANKROFLEX ED6 in the mobile phase would suggest that the log Kow value is greater than the highest standard used (Triphenylamine), which has a log Pow value of 5.7.
Executive summary:

LANKROPLAST ED6 appeared to partially after sonication in the mobile phase of 80:20 acetonitrile:water used in this study. However there was no measureable log Kow in this study since no peaks were detected. As no peaks were detected and the limited solubility of LANKROFLEX ED6 in the mobile phase would suggest that the log Kow value is greater than the highest standard used (Triphenylamine), which has a log Pow value of 5.7.

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
30 July 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline available
Principles of method if other than guideline:
KOWWIN v1.67 estimate
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
>= 7 - <= 12
Temp.:
25 °C
pH:
ca. 7

Calculated using EPIsuite (KOWWIN v1.67 estimate):

Constituent

Log Kow

C18:1 - C18 oxirane 2-ethylhexyl ester

10.08

C18:2 - C18 dioxirane 2-ethylhexyl ester

8.56

C18:3 - C18 trioxirane 2-ethylhexyl ester

18.3

C20:1 - C20 oxirane 2 ethyl hexyl ester

11.06

C12:1 - C12 oxirane 2-ethylhexyl ester

7.13

C22:1 - C22 oxirane 2-ethylhexyl ester

12.04

Conclusions:
The partition coefficients of the main components of epoxidised fatty acids were within the range 7≤log Kow≤12, as calculated using EPIsuite (KOWWIN v1.67 estimate).
Executive summary:

The partition coefficients of the main components of epoxidised fatty acids were within the range 7≤log Kow≤12, as calculated using EPIsuite (KOWWIN v1.67 estimate).

Description of key information

LANKROPLAST ED6 appeared to partially after sonication in the mobile phase of 80:20 acetonitrile:water used in this study. However there was no measureable log Kow in this study since no peaks were detected. As no peaks were detected and the limited solubility of LANKROFLEX ED6 in the mobile phase would suggest that the log Kow value is greater than the highest standard used (Triphenylamine), which has a log Pow value of 5.7.

The partition coefficients of the main components of epoxidised fatty acids were within the range 7≤log Kow≤12, as calculated using EPIsuite (KOWWIN v1.67 estimate).

Key value for chemical safety assessment

Additional information