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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:
guideline study with acceptable restrictions
Remarks:
Study performed similarly to OECD guideline 117 with data scientifically acceptable but not performed under GLP
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Principles of method if other than guideline:
Not applicable
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.48
Temp.:
37 °C
pH:
7.2
Remarks on result:
other: standard error: 0.06
Details on results:
- Experimental log Kow (RP-HPLC) = 4.48 (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)

None

Conclusions:
The partition coefficient, log Kow, of (-)-alpha-pinene was determined as 4.48 (S.E. = 0.06) at 37 °C.
Calculated log Kow values of (-)-alpha-pinene were also reported : 4.34 (fragment method), 4.27 (atom /fragment contribution method) and 2.80 (atomistic method).
Executive summary:

A study was conducted to determine the partition coefficient of (-)-α-pinene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117.

 

The partition coefficient, log Kow, of (-)-alpha-pinene was determined as 4.48 (S.E. = 0.06) at 37 °C.

Calculated log Kow values of (-)-alpha-pinene were also reported : 4.34 (fragment method), 4.27 (atom /fragment contribution method) and 2.80 (atomistic method).

Description of key information

The partition coefficient, log Kow, of  (-)-alpha-pinene was determined as 4.48 (S.E. = 0.06) at 37 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.48
at the temperature of:
37 °C

Additional information

A study was conducted according to Guideline OECD 117 to measure the partition coefficient of (-)-alpha-pinene.

The value was considered with a reliability of 2 (reliable with restrictions) because the result is scientifically acceptable but not obtained under GLP and some details were lacking in the report.

This result is supported by consistent experimental data obtained with alpha-pinene multiconstituent.