4-cyclohexyl-4-methylpentan-2-one

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-09-20 to 2016-09-21

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

Deviations:

yes

Remarks:

Due to technical reasons, standards were injected seperately instead of simultaneously

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

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:

4.36

Temp.:

22.7 °C

Remarks on result:

other: mean of 2 injections and 2 calibrations, more info in "Any other information on results".

The retention times for the reference items are given below:

Reference item	log Pow	1st calibration			2nd calibration
		retention time	k	log k	retention time	k	log k
Anisole	2.1	2.498	4.09	0.612	2.508	4.11	0.614
Allyl phenyl ether	2.9	3.752	6.64	0.822	3.769	6.68	0.825
Ethylbenzene	3.2	5.278	9.75	0.989	5.299	9.79	0.991
Isopropylbenzene	3.7	7.071	13.4	1.127	7.104	13.5	1.130
n-Butylbenzene	4.6	12.127	23.7	1.375	12.175	23.8	1.377
Fluoranthene	5.1	14.667	28.9	1.461	14.71	29	1.462
Triphenylamine	5.7	21.954	43.7	1.640	22.067	43.9	1.642

The void time was found to be 0.491 on average (n=3).

The R² values for the calibration are > 0.99

The details on the measurement of the test sample are:

			log Pow
retention time	k	log k	1st calibration	2nd calibration
9.813	19	1.279	4.37 ± 0.05	4.36 ± 0.06
9.826	19	1.279
9.82	19	1.279	4.36

Conclusions:

The test item has a log Pow value of 4.36.

Executive summary:

The partition coefficient of the test substance was determined according to OECD 117, HPLC method. For the calibration, 7 reference plus sodium nitrate for the void time were injected. Two valid calibration curves were set up. A solution of 3000 mg/L test item was prepared and injected twice. The average log Pow value was found to be 4.36.

Description of key information

For this endpoint, one study is available assessing the octanol-water partition coefficient of the test item. This study was performed according to OECD 117, HPLC method. The log Pow value of the test item was found to be 4.36.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.36

at the temperature of:

22.7 °C