4-trans-(4-trans-Propylcyclohexyl)-cyclohexancarbonic acid

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27.10.-15.11.2017

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)

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

6.44

Temp.:

25 °C

Remarks on result:

other: as analytical investigation was not possible with this substance; an EPIWIN calculation was provided

The test item was hardly soluble in water (<1.2 mg/l) and did not contain active chromophores. Therefore the HPLC method using a MS detector was used for the determination of the partition coefficient.

Several methods using HPLC-MS were tested:

1. Solving and diluting the test item in methanol     Negative signal (APCI and ESI): 251 m/z

2. Test item in 10 % demineralized water and 90 % methanol     Very broad signal and therefore not evaluable

3. Test item in 25 % demineralized water and 75 % methanol     No signal

4. Test item solved in methanol and diluted with citric acid buffer/acetonitrile 50:50 % (v/v)     No signal

5. Test item solved in methanol and diluted with methanol/demineralized water 95:5 % (v/v)     No signal

None of the abovementioned methods showed an evaluable signal (method no. 1 could not be used as it contained no water at all). Therefore no experimental partition coefficient could be determined and the value from EPI Suite will be given as final result.

Conclusions:

The partition coefficient Pow of the test item was calculated (EPI Suite) to be log Pow = 6.44.

Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 and No. 2016/266 method A.24. to determine the partition coefficient of the test substance using the HPLC method. None of the tested methods showed an evaluable signal. Therefore no experimental partition coefficient could be determined and the value from EPI Suite will be given as final result. In accordance with column 2 of annex VII Section 7.8 of the REACH regulation the partition coefficient P_OW of the test item was therefore calculated (EPI Suite) to be log P_OW = 6.44.

Description of key information

The partition coefficient P_OW of the test item was calculated (EPI Suite) to be log P_OW = 6.44 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):

6.44

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 and No. 2016/266 method A.24. to determine the partition coefficient of the test substance using the HPLC method. None of the tested methods showed an evaluable signal. Therefore no experimental partition coefficient could be determined and the value from EPI Suite will be given as final result. In accordance with column 2 of annex VII Section 7.8 of the REACH regulation the partition coefficient P_OW of the test item was therefore calculated (EPI Suite) to be log P_OW = 6.44 (Reference 4.7-1).