Benzeneacetyl chloride, 2,5-dimethyl-

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2006-10-13 to 2007-02-09

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

2.3

Temp.:

25 °C

pH:

2

Key result

Type:

log Pow

Partition coefficient:

-0.34

Temp.:

25 °C

pH:

7

Details on results:

The concentrations of the test item in the 1-octanol- and aqueous phases were quantified by comparing integrated peak areas with integrated peak areas measured by injection of solutions with known amounts of the test item (external standard method). The integrations were automatically carried out using the Chromeleon version 6.70. The standards were prepared by dissolving in acetonitrile and diluting the test item in acetonitrile / water 50/50 (v/v). Corrections with the sample purity were made.

Validity criteria for the measurement of the particion coefficient:

Target condition according to guideline:	Actual condition according to the study:	Validity criteria met:
For the measurement, substance-specific methods are preferred. Analytical methods which may be appropriate are: photometry, gas chromatography and high performance liquid chromatography.	HPLC was used for analytical measurements.	Yes
The temperature, the amount of test substance introduced in the test vessels, the volume of each phase in each vessel and the calculated total amount of test substance based on the analytical data shall be stated.	All of these parameters are stated in the study report.	Yes
The pH of the water used and of the aqueous phase during the experiment shall be stated.	The pH of the water used and of the aqueous phase are stated in the report.	Yes

 

Conclusions:

The log Pow was determined to be - 0.34 at pH 7 and 25 °C.

Executive summary:

The partition coefficients 1-octanol /water of the test item at pH 2 and pH 7 at room temperature were determined according to the "flask-shaking" method described in EEC Test Guideline 92/69, A.8.; OECD Test Guideline 107 and EPA Product Properties Test Guideline OPPTS 830.7550

 

The partition coefficient (1-octanol /water) were:

	pH 2	pH 7
Log Pow	2.3	- 0.34
Pow	196	0.46

Description of key information

The log Pow was determined to be -0.34 at pH 7 and 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.34

at the temperature of:

25 °C