Registration Dossier
Registration Dossier
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EC number: 261-385-0 | CAS number: 58670-89-6
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Pow = 10.59
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10.59
- at the temperature of:
- 20 °C
Additional information
Due to its hydrophobic structure the experimental determination of the logPow of 2-decyltetradecanol is not possible as no sufficiently sensitive analytical method is available.
According to REACH Guidance on information requirements and chemical safety assessment Chapter R.7.1.8 highly accurate measurements of high log Pow are not possible and no standard method is available for log Pow > 8.3.
To determine a reliable logPow the value was calculated using the KOWWIN v1.68 software from EPI Suite. With the molecular weight of 354.67 2-decyltetradecanol f
alls within the ranges of the log KOWWIN model is valid for of 18.02 to 719.92 (for the training set) and 27.03 to 991.15 (for the validation set).
For 2 -decyltetradecanol, the model accounts for each fragment, therefore also for this aspect the substance fits within the domain:
-------+-----+--------------------------------------------+---------+----------------------------------------------------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+----------------------------------------------------
Frag | 2 | -CH3 [aliphatic carbon] | 0.5473 | 1.0946
Frag | 21 | -CH2- [aliphatic carbon] | 0.4911 | 10.3131
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 1 | -OH [hydroxy, aliphatic attach] |-1.4086 | -1.4086
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+---------------------------------------------------
Log Kow = 10.5895
The calculated logPow for 2 -decyltetradeanol is 10.59.
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