2-hydroxy-3-(prop-2-enoyloxy)propyl 2-methyl-2-propylhexanoate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015

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:

not specified

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Batch no.: lot # JBGJ0045R
Purity: 100% (UVCB)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= 4.118 - <= 4.19

Temp.:

25 °C

pH:

ca. 6 - ca. 7

Details on results:

As peak 3 showed a relative area < 5%, it was considered as minor peak. Although area is not necessarily correlated to absolute concentration if a UV detector is used, it was assumed that the test substance consisted mainly of the peaks 1 and 2. Using the correlation log K / log Pow, the log Pow of the major components of test substance was calculated 4.118 – 4.190.

Conclusions:

Under the study conditions, the partition coefficient (log Pow) of the test substance was determined to range from 4.118 to 4.190 at 25°C and pH 6-7 (HPLC method).

Executive summary:

A study was conducted to determine the partition coefficient of the test substance according to OECD guideline 117 and EU Method A.8 (HPLC method). In a preliminary test, a solution of the test substance with a concentration of 750 mg/L was injected in order to check retention time and the signal height. Three unresolved peaks (retention time range 7.9 – 8.8 minutes) were detected with sufficient peak height. This solution was therefore used for the determination of the log Pow of the test substance. The determination of the log Pow of the test substance was performed with one vial filled with the reference substance (DDT) mix and one vial with the test substance solution (750 mg/L). The vials were analysed using the HPLC. Three injections were measured from the reference substance mix, three injections from the test substance and again three injections from the reference substance mix. As peak 3 showed a relative area 5 %, it was considered as minor peak. Although area is not necessarily correlated to absolute concentration if a UV detector is used, it was assumed that the test substance consisted mainly of the peaks 1 and 2. Using the correlation log K / log Pow, the log Pow of the major components of test substance was calculated 4.118 – 4.190. Under the study conditions, the partition coefficient of the test substance was determined to range from 4.118 to 4.190 at 25°C and pH 6 -7 (Brinkmann, 2015).

Description of key information

The partition coefficient was determined according to OECD guideline 117 and EU Method A.8 (HPLC method) (Brinkmann, 2015)

Key value for chemical safety assessment

Log Kow (Log Pow):

4.19

at the temperature of:

25 °C

Additional information

Log Pow for major constituents (present at >95%) ranged from 4.118 to 4.190 at 25°C and pH 6-7