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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1999
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
no certificate of analysis of the test substance
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.44
Temp.:
37 °C
pH:
7.2
Remarks on result:
other: standard error: 0.06
Details on results:
- Experimental log Kow (RP-HPLC) = 4.44 (S.E.: 0.06) at 37 °C
- Calculated log Kow = 4.34 (fragment method), 4.27 (atom /fragment contribution method) and 2.80 (atomistic method)
Conclusions:
Under the test conditions, the partition coefficient, log Kow, of d-alpha pinene was determined to be 4.44.
Executive summary:

A valid study was conducted to determine the partition coefficient of d-alpha pinene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of d-alpha pinene was determined to be 4.44 (S.E. = 0.06) at 37 °C.

Description of key information

Key study: Test method similar to OECD 117. Log Kow determined using RP-HPLC method : 4.44 at 37°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.44
at the temperature of:
37 °C

Additional information

Key study: A valid study was conducted to determine the partition coefficient of d-alpha pinene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of d-alpha pinene was determined to be 4.44 (S.E. = 0.06) at 37 °C. The calculated log Kow values were 4.34 (fragment method), 4.27 (atom /fragment contribution method) and 2.80 (atomistic method).