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EC number: 700-918-8 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Measured value (log Kow=4.7) following the EU A.8 method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.7
- at the temperature of:
- 22 °C
Additional information
Due to the relatively high octanol solubility of the test sample, it was not applicable to perform the shake flask procedure for assessment of log P (partition coefficient logartihm to base 10) value. An octanol solubility test at ambient T was carried out by means of visual assessment at various concentrations using trident vials.
Log Kow values were also estimated with the PETRORISK tool that was used for the environmental risk assessment. The estimation is based on log Kow values of individual compound structures, which are included in the CONCAWE Library. The overall range for the estimated log Kow values was from 2 to 6.43. The log Kow values of the representative individual structures that form the major part of the substance based on mass fraction (sum 0.7) were in the range 3.65 - 4.77.
In addition to PETRORISK, the octanol-water partition coefficients were estimated with the EPISUITE model. The calculated log Kow values for the ten most abundant individual structures (based on mass-%) of the substance ranged from 3.21 to 5.65. These log Kow values were used as a basis for the bioaccumulation estimation with the EPISUITE model.
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