1-(2-Ethylbutyl)cyclohexanecarbonitrile

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

other information

Study period:

July 28, 2009 to January 12, 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

- OECD Guideline for Testing of Chemicals, Guideline No. 117: ”Partition coefficient (n-octanollwater), High Performance Liquid Chromatography (HPLC) ’ method”, adopted April 13, 2004 - EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemicai properties, A.8 ”Partition coefficient”, 1992

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

and EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

CAT-Nitrile

IUPAC Name:

CAT-Nitrile

Details on test material:

Name: CAT-NITRIL
Certificate of Analysis Date: June 27,2008
Aggregate State at Room Temperature: Liquid
Colour: Colourless - light brown
Expiry Date: September 2009
Stability: Technical product: see expiry date
Storage: In original container, at room temperature (+10 degree C to +30 degree C), in the
dark

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

3.6 - 5.1

Temp.:

25 °C

Remarks on result:

other: The logarithmic partition coefficients (n-octanol/water) of the test item were determined to be 3.6 and 5.1 using the HPLC method (25 degree C +/- 1 degree C).

Any other information on results incl. tables

The partition coefficient of the test item was determined from its

retention time on a reversed phase column in comparison with

recommended reference items. Although the test item is considered

to be stable two test item related peaks occur in the chromatogram

of the test item. A second signal might be based on possible reaction

products of the test item (e.g. hydrolysis). Two partition coefficients

for the test item were calculated.

Applicant's summary and conclusion

Conclusions:

The logarithmic partition coefficients (n-octanol/water) of the test
item were determined to be 3.6 and 5.1 using the HPLC method
(25 degree C +/- 1 degree C).

Executive summary:

Title:

Determination of the Partition Coefficient (n-Octanol / Water) of

CAT-NITRIL, by High Performance Liquid Chromatography (HPLC)

 

Guidelines/Recommendations:

-OECD Guideline for Testing of Chemicals, Guideline No.117:

”Partition coefficient (n-octanol/water), High Performance

Liquid Chromatography (HPLC) method”, adopted April 13,

2004

- EEC directive 92/69, Annex V, PartA, Methods for the

determination of physico-chemical properties, A.8 ”Partition

coefficient”,1992

 

Purpose:

The purpose of the study was to determine the partition coeficient

of the test item between n-octanol and water using the HPLC method.

 

Results:

.

The partition coefficient was calculated based on a calibration curve

usingGreference items. The difference between the three

measurements of the reference mixture was less than the given 0.1

log units. Therefore, the study is considered to be valid.

The partition coefficient of the test item was determined from its

retention time on a reversed phase column in comparison with

recommended reference items. Two test item related peaks occur in

the chromatogram of the test item, therefore two partition

coefficients for the test item were determined.

The logarithmic partition coefficients (n-octanol/water) of the test

item were determined to be 3.6 and 5.1 using the HPLC method

(25 degree C +/- 1 degree C).