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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to a standard procedure, but not according to a guideline. Not all details on the study performance are reported.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Shake-flask method, see details on method in the reference document.
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-2.67
pH:
2.01
Remarks on result:
other: temperature is not stated in the reference
Type:
log Pow
Partition coefficient:
0.28
pH:
7.4
Remarks on result:
other: temperature is not stated in the reference
Type:
log Pow
Partition coefficient:
1.17
pH:
12.17
Remarks on result:
other: temperature is not stated in the reference
Executive summary:

The octanol/water partition coefficient of nicotine was determined by the traditional shake-flask method at different pH values. The commom logarithm values of the determined partition coefficient (log Pow) correspond to -2.67 (pH 2.01), 0.28 (pH 7.4), and 1.17 (pH 12.17).

In a further study, a log Pow value of 1.17 at pH 11 (with the Sörensen buffer solution (Na2B4O7 - NaOH) as aqueous phase) was determined for nicotine. For details, see Fujita, T., Nakajima, M., Soeda, Y. and Yamamoto, I., "Physicochemical properties of biological interest and structure of nicotine and its related compounds", Pestic. Biochem. Physiol., 1971, 1, 151 -162.

Description of key information

Results were reported in literature. The results are reliable with restriction. Key study is appropriate for the risk assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.17
at the temperature of:
18 °C

Additional information