Lanolin, acetate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 March 2016 to 30 June 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), 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:

Pow

Partition coefficient:

> 10 000 000 000

Temp.:

40 °C

pH:

5.8

Remarks on result:

other: >1.0E+10 with a log10 Pow of >10.0.

Key result

Type:

log Pow

Partition coefficient:

> 10

Temp.:

40 °C

pH:

5.8

Details on results:

Preliminary Estimate: The estimated log10 Pow for the representative structure of the test item was calculated to be from 9.74.

Table 1: Retention times (and dead time) of the reference standards

Standard	Retention Time (minutes)			Capacity factor	Log10 k'	Log10 Pow
	Injection 1	Injection 2	Mean
Thiourea (dead time)	0.968	0.968	0.968	-	-	-
Benzyl alcohol	1.145	1.145	1.145	0.183	-0.738	1.1
Naphthalene	1.805	1.807	1.806	0.866	-0.0625	3.6
Triphenylamine	4.005	4.008	4.007	3.14	0.497	5.7
1-Phenylnonane	11.446	11.431	11.439	10.8	1.03	7.1
1-Phenylundecane	21.288	21.259	21.274	21.0	1.32	8.1
1-Phenyldodecane	29.355	29.318	29.336	29.3	1.47	8.7
1-Phenyltridecane	40.711	40.667	40.689	41.0	1.61	9.4
1-Phenyltetradecane	56.834	56.771	46.803	57.7	1.76	10.0

 

Table 2: Results

Injection	Retention time (minutes)	Capacity factor (k')	Log10 k'	Log10 Pow	Mean Log10 Pow
1	≥85.543	>57.7	>1.76	>10.0	>10
2	≥85.550	>57.7	>1.76	>10.0

It was considered that the HPLC method would be the most suitable for determination of partition coefficient. The test was modified from that stated in the guidelines to allow assessment of the partition coefficient up to a value of log10 Pow 10.0 by the use of additional reference standards. Additionally, the mobile phase contained only 20 % water, instead of the guideline recommended 25 % minimum, to help elute the highly retained additional reference standards. The mobile phase pH was unadjusted as the majority of the components of the test item (a complex mixture) had no dissociation constant within the environmentally relevant pH range so they were tested in their non-ionized form.

Conclusions:

The partition coefficient of the test item has been determined to be >1.0 E+10 with a log Pow of >10.0.

Executive summary:

The partition coefficient (n-octanol/water) of the test material was determined to be greater than 1.0E+10, log10 Pow of >10.0, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Description of key information

The partition Coefficient (n-octanol/water) was determined in accordance with EU Method A.8 and OECD 117. The test material was determined to have a Pow of > 1.0E+10 and a log Pow of > 10.0.