Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

6 January 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 7.8

Temp.:

24 °C

Remarks on result:

other: overall pH not reported

HPLC results of standard and test substance

Chemical	Approximate retention time (minutes)	Concentration (mg/L)	Literature log Kow
p-quaterphenyl	7.26	<406	7.8
Test substance	12.2	340	not applicable

The HPLC method for estimating the log Kow is useful for compounds that have log Kow between 0 and 6. A standard with a known log Kow value was prepared and analyzed with the test substance. It was not possible to bracket the test substance with standards having higher and lower log Kow values. The test substance eluted after the p-quaterphenyl which is the standard having the greatest literature log Kow value. Therefore, the log Kow of the test substance was estimated to be greater than 7.8.

Conclusions:

Under the conditions of the test, the log Kow of the test substance was determined to be >7.8.

Executive summary:

In a GLP compliant partition coefficient study conducted in line with OECD Guideline 117 and EU Method A.8, the partition coefficient of butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo [1,5-b][1,2,4]triazol-2-yl]phenyl]amino-4-oxo, tetradecyl ester was determined using the HPLC method. The partition coefficient of the substance was determined to be >7.8.

Description of key information

Key study:- Hoffman (2004c) 'Partition coefficient' conducted in line with OECD Guideline 117 and EU Method A.8.

The partition coefficient of the test substance was determined to be >7.8.

Key value for chemical safety assessment

Log Kow (Log Pow):

7.8

at the temperature of:

24 °C

Additional information

The key study (Hoffman, 2004c) was performed in compliance with GLP and to OECD Guideline 117 and EU Method A.8 with a sufficient level of detail to assess the quality of the presented data. The study was performed to a good standard in line with accepted, standardised guidelines and was assigned a reliability score of 1 using the principles for assessing data quality as set out in Klimisch et al. (1997). The partition coefficient of the test substance was determined to be >7.8.