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EC number: 204-881-4 | CAS number: 128-37-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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 for cross-reference:
- 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.
Referenceopen allclose all
EPI-Suite experimental database: no data provided on temperature and pH to be included under "Results and discussions".
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).
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