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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
Remarks:
Study conducted similarly to OECD guideline 117 with minor deviations: no certificate of analysis of the test substance
Reason / purpose:
reference to same study
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
Principles of method if other than guideline:
Not applicable
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:
4.38
Temp.:
37 °C
pH:
7.2
Remarks on result:
other: standard error: 0.05
Details on results:
- Experimental log Kow (RP-HPLC) = 4.38 (S.E.: 0.05) at 37 °C
- Calculated log Kow = 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method)

None

Conclusions:
Under the test conditions, the partition coefficient, log Kow, of (-)-limonene was determined to be 4.38 (S.E. = 0.05) at 37 °C. The calculated log Kow values of (-)-limonene were 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method).
Executive summary:

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

 

Under the test conditions, the partition coefficient, log Kow, of (-)-limonene was determined to be 4.38 (S.E. = 0.05) at 37 °C. The calculated log Kow values of (-)-limonene were 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method).

Description of key information

Key study: Test method similar to OECD 117: Log Kow determined using HPLC method : 4.38 at 37°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.38
at the temperature of:
37 °C

Additional information

The key value for log Kow of l-limonene (4.38) was experimentally determined by an HPLC method similar to OECD 117 guideline.

The result is supported by other experimental values on l-limonene and on d-limonene, by read-across, its enantiomer which have the same physical properties.