Hex-3-en-1-yl acetate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 to 28 October 2016

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)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

GLP compliance:

yes (incl. QA statement)

Remarks:

Staatliches Gewerbeaufsichtsamt Hildesheim

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.67

Temp.:

22.7 °C

Remarks on result:

other: No pH value was measured: mobile phase is neutral, the test item not influenced by pH.

Results

 

Preliminary test

A non-GLP preliminary test was performed, resulting in a log Pow of 2.94). The decision for the HPLC-method was made due to this result.

 

Results of Test Item Analysis

For each of the two test item isomers, two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. Finally, a weighted average mean based on the peak area percentage of the respective signals was calculated.

 

Retention Times, Capacity Factors and Partition Coefficients of Isomer 1

[test item]	tR [min]	k	log k	log Pow
				1^stCalibration	2^ndCalibration
	7.464	9.23	0.965	2.63 ± 0.05 2.51 to 2.75 (95 % Cl)	2.63 ± 0.05 2.51 to 2.74 (95 % Cl)
	7.473	9.25	0.966
Mean	7.469	9.24	0.966	2.63

 

Retention Times, Capacity Factors and Partition Coefficients of Isomer 2

[test item]	tR [min]	k	log k	log Pow
				1^stCalibration	2^ndCalibration
	7.945	9.89	0.995	2.68 ± 0.05 2.56 to 2.80 (95 % Cl)	2.68 ± 0.05 2.56 to 2.80 (95 % Cl)
	7.956	9.91	0.996
Mean	7.951	9.90	0.996	2.68

 

tR: Retention time

k: Capacity factor test item

Pow: Partition Coefficient (n-octanol / water)

Cl: Confidence Interval

 

 

Conclusions

For each of the two test item isomers, two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. Finally, a weighted average mean based on the peak area of the respective signals was calculated. The mean column temperature was determined to be 22.7 °C during the course of the study.

 

Summarized Results of the Partition Coefficient of the Test Item

Test item	log Pow			Area [%]
	1^stCalibration	2^ndCalibration	Mean
Isomer 1	2.63 ± 0.05 2.51 to 2.75 (95 % Cl)	2.63 ± 0.05 2.51 to 2.74 (95 % Cl)	2.63	26.6
Isomer 2	2.68 ± 0.05 2.56 to 2.80 (95 % Cl)	2.68 ± 0.05 2.56 to 2.80 (95 % Cl)	2.68	73.4
		Weighted Mean	2.67

Conclusions:

A log Kow of 2.67 (weighted average mean of isomer 1 and 2) at 22.7 °C was determined for the test substance according to OECD 117.

Description of key information

Log Kow: 2.67 at 22.7 °C (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):

2.67

at the temperature of:

22.7 °C

Additional information

The final result is a weighted average mean of the partition coefficients of the two isomers composing the substance.