3,7-dimethyloctan-3-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:

January 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

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 - Shake Flask Method)

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Remarks:

and Shake Flask Method was used as preliminary method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

5.6

Temp.:

25 °C

pH:

5.7

Details on results:

During the preliminary test, the log Pow of the test substance was estimated to be above 5.6. Therefore, the HPLC method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 3.4 to 6.5, were used as reference standards during the main test.

The test substance solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice. The log Pow of the main peak of the test substance was calculated using a regression curve (log k’ vs log Pow) and was found to be 5.6. The resultant log Pow was in the range of the estimated value found during the preliminary test.

The chromatography of the test item showed one main peak well defined and reproducible retention time. The HPLC method was therefore considered suitable for the purpose of the study.

In conclusion, using HPLC method, the n-octanol/water partition coefficient of the test substance is log Pow: 5.6

Results of test substance (Tetrahydrolinalyl Acetate) analyses

Number of analysis	Retention time [min]	K’	Log k’	Log Pow	Mean log Pow
Test item main peak
1	6.09	4.23	0.62597	5.6
2	6.01	4.16	0.61886	5.6
3	6.02	4.17	0.61976	5.6	5.6

The tabulated values represent rounded results, which were obtained by calculation using the exact raw data.

Conclusions:

Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).

Executive summary:

The partition coefficient of Tetrahydrolinalyl acetate was determined according to OECD 117 and under GLP using the HPLC method. Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).

Description of key information

The partition coefficient of the substance was determined according to OECD 117 and under GLP using the HPLC method. Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).

Key value for chemical safety assessment

Log Kow (Log Pow):

5.6

at the temperature of:

20 °C