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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / KOWWIN v1.67 estimate
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water
Analytical method:
other: Estimated by calculation
Key result
Type:
log Pow
Partition coefficient:
5.03
Remarks on result:
other: EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions".
Conclusions:
The estimated log Pow is 5.03 (EPI-Suite, KOWWIN v1.67 estimate).
Executive summary:

The estimated log Pow is 5.03 (EPI-Suite, KOWWIN v1.67 estimate).

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Data referenced in the article is taken from literature. Although the methodology to measured the log Pow is not included in the article, the values are taken into account for the weight of evidence analysis.
Principles of method if other than guideline:
No data provided on the test method.
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
octanol-water
Analytical method:
not specified
Key result
Type:
log Pow
Partition coefficient:
>= 5.11 - <= 5.2
Remarks on result:
other: Publication: no data provided on temperature and pH to be included under "Results and discussions".
Conclusions:
The log Pow is 5.11-5.20.
Executive summary:

The log Pow is 5.11-5.20.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
EPI-Suite experimental database (Ref: TSCATS)
Principles of method if other than guideline:
No data provided on the test method.
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
octanol-water
Analytical method:
not specified
Key result
Type:
log Pow
Partition coefficient:
5.1

EPI-Suite experimental database: no data provided on temperature and pH to be included under "Results and discussions".

Conclusions:
The log Pow is 5.10 (EPI-Suite, experimental database).
Executive summary:

The log Pow is 5.10 (EPI-Suite, experimental database).

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
The method is well described and was used for several substances. The technique was checked in some substances by a potentiometric method.
Reason / purpose:
reference to same study
Principles of method if other than guideline:
Partition coefficient determined spectrophotometrically in octanol-water solution at 37ºC.
GLP compliance:
not specified
Type of method:
other: Spectrophotometric method.
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
14 700
Temp.:
37 °C
Remarks on result:
other: pH independent
Type:
log Pow
Partition coefficient:
4.17
Temp.:
37 °C
Remarks on result:
other: pH independent
Conclusions:
The partition coefficient (octanol/water) of BHT was 14700.
Executive summary:

The partition coefficient of BHT was determined by a spectrophotometric method. The technique was checked on several compounds for which the partition coefficient was determined by a potentiometric technique (phenol, thymol, p-cresol, propyl-paraben). The partition coefficient (octanol/water) of BHT at 37ºC was 14700, the log Pow was 4.17.

Description of key information

Based on the experimental results referenced in a scientific article the log Pow is 4.17 -5.20.

Based on the estimated data using EPI-Suite, the log Pow is 5.03.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.2

Additional information

Weight of evidence: Experimental results referenced in scientific articles and estimated results using EPI-Suite (EPA, USA).