(2S)-1-isopropoxy-1-oxopropan-2-yl pivalate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental phase: 2014-12-03 to 2014-12-05

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was conducted according to OECD method, and under GLP. Test substance is adequately specified with purity. However validation applies with minor restrictions, due to technical inaccuracy (choice of standards).

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)

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on June 3 to 5, 2013 / signed on November 5, 2013

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.32

Temp.:

22.8 °C

Remarks on result:

other: pH not specified

Details on the determination of dead time and calibration data of the reference items are provided in the study report.

The calculated slope, Y-intercept and correlation coefficient for the first and second calibration of the reference items are:

	1^st Calibration	2^nd Calibration
slope	1.642	1.640
Y-intercept	1.2327	1.2366
r^2	0.9959	0.9959
r	0.9979	0.9979

For the test item, two individual logP_OW values were derived from the mean retention time under consideration of the first and second calibration. As the values were consistent (within 0.1 log unit), a mean value was calculated from these individual logP_OW values.

1^st Calibration: 3.32 ± 0.02; 3.27 to 3.37 (95 % CI)

2^nd Calibration: 3.32 ± 0.02; 3.27 to 3.37 (95 % CI)

Mean: 3.32

Conclusions:

The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).

Executive summary:

The partition coefficient (n-octanol/water) of the test substance was determined under GLP according to the OECD 1117/EU A8 guideline, HPLC method, on a C18 column with diode array detection.

Calibration was performed using six reference items with known log Kow vlaues (given by the guidelines). They were measured twice, once before and once after the measurement of the test item, for which one replicate was double injected. The dead time of the HPLC system was determined with sodium nitrate.

A mean value was calculated for the test item, from mean retention time of duplicate injections and individual calibrations.

The partition coefficient (log Pow) of test substance was determined to be 3.32 at 22.8°C.

Description of key information

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria. The substance has LOW potential for bioaccumulation (log Kow < 4).

Key value for chemical safety assessment

Log Kow (Log Pow):

3.32

at the temperature of:

22.8 °C

Additional information

A reliable experimental study, conducted according to a recognized OECD method and under GLP, is available. Despite minor restrictions for accuracy, it is considered as a key study, and the result is retained as key value.