(R)-5-isopropyl-2-methylcyclohexa-1,3-diene

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

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)

Version / remarks:

2004

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

2008

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= 4.51 - <= 5.74

Temp.:

21.6 °C

Remarks on result:

other: No pH value was measured for this mobile phase, because it is neutral. Furthermore the test item does not have functional groups with influence on the pH value of the mobile phase.

Details on results:

Signal-to-Noise: The signal-to-noise ratio for the void time marker, reference items and the test item was > 3.

Conclusions:

The partition coefficient log Pow of the test item was determined to be in a range of 4.51 to 5.74 at 21.6°C.

Executive summary:

The partition coefficient (n-octanol/ water) of the test item was determined according to GLP, OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 on 2017-03-15 and GLP.

The test was performed with a concentration of approx. 50 mg/L test item in 70% acetonitrile : 30% HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection.

Calibration was performed using seven reference items with known log Pow values (given by the guidelines). The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item. The void time of the HPLC system was determined with sodium nitrate.

For each of the four test item signals, 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. The identity of the test item was verified via additional non GLP analysis. The mean column temperature was determined to be 21.6 °C during the course of the study.

The partition coefficient log Pow of the test item at 21.6°C was determined to range from 4.51 - 5.74.

Description of key information

The partition coefficient log Pow of the test item was determined to be 5.74 at 21.6°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.74

at the temperature of:

21.6 °C

Additional information

The partition coefficient (n-octanol/ water) of the test item was determined according to GLP, OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 on 2017-03-15 and GLP.

The test was performed with a concentration of approx. 50 mg/L test item in 70% acetonitrile : 30% HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection.

Calibration was performed using seven reference items with known log Pow values (given by the guidelines). The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item. The void time of the HPLC system was determined with sodium nitrate.

For each of the four test item signals, 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. The identity of the test item was verified via additional non GLP analysis. The mean column temperature was determined to be 21.6 °C during the course of the study.

The partition coefficient log Pow of the test item at 21.6°C to range from 4.51-5.74.