Fatty acids, C14-22, 2-ethylhexyl esters, epoxidized

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

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

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.

Reference 2

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).