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Partition coefficient

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Description of key information

The log Kow of the constituents of Bergamot Oil is above 4.0 for 84.55% of the composition.

Key value for chemical safety assessment

Additional information

As Bergamot oil is a naturally complex substance consisting of multiple constituents, a partition coefficient value for this NCS has little meaning. Therefore, in line with the NCS protocol, partition coefficients for the individual known constituents were calculated using the KOWWIN v1.67 QSAR by US-EPA. Only for the main constituent D-limonene the measured log Kow was used as this is important for the PBT assessment.

The log Kow range for Bergamot oil constituents was found to be 2.14 - 6.3. The fraction of log Kow > 4 was 84.55% and the fraction of log Kow > 4.5 was 7.75%. The lowest (Bergapten) and highest (beta-Caryophyllene) values were for constituents comprising 0.05 and 0.3% of the NCS respectively.