Registration Dossier
Registration Dossier
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EC number: 939-409-2 | CAS number: 1329-99-3
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.88
- at the temperature of:
- 20 °C
Additional information
The partition coefficients of the relevant constituents of Depanol I were calculated using the international accepted QSAR tool EPI WIN v3.20 using the module MPBPWIN v1.42. This information is considered to be Klimisch 2 information.
The calculated partition coefficients (logPow) were(sequence according to the perceptual share in Depanol I):
4.83 for Dipentene (Cyclohexene, 1 -methyl-4 -(1-methylethenyl)-; CAS 138 -86 -3)
4.88 for Terpinolene (Cyclohexene, 1 -methyl-4 -(1 -methylethylidene)-CAS 586 -62 -9).
4.75 for alpha Terpinene (1,3 -Cyclohexadiene, 1 -methyl-4 -(1 -methylethyl)-; CAS 99 -86 -5)
4.75 for gamma Terpinene (1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-; CAS 99 -85 -4)
Since the calculations were performed using an international accepted QSAR tool where reference data and calibration sets are available and the substance falls within the applicability domain, the obtained results are considered reliable and relevant for the risk assessment according to REACH Annex XI section 1.3.
Since the major constituents of Depanol I were considered, the partition coefficients and all were in the same range (log Pow: 4.75 to 4.88) the results are also considered as relevant for the final product. The highest partition coefficient, i.e., 4.88 will be used for the risk assessment as this represents the worst case for the human risk assessment.
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