Registration Dossier
Registration Dossier
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EC number: 931-671-6 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Pow approx. 7.76
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.76
- at the temperature of:
- 20 °C
Additional information
Due to its hydrophobic structure the experimental determination of the logPow of the substance Reaction mass of 2-hexyldecan-1-ol and 2-hexyldodecan-1-ol and 2-octyldecan-1-ol and 2-octyldodecan-1-ol is very difficult.
To determine reliable logPow value of Reaction mass of 2-hexyldecan-1-ol and 2-hexyldodecan-1-ol and 2-octyldecan-1-ol and 2-octyldodecan-1-ol the values of the single components were calculated
using the KOWWIN v1.68 software from EPI Suite. With the molecular weight of >= 242.45 — <= 298.56 Reaction mass of 2-hexyldecan-1-ol and 2-hexyldodecan-1-ol and 2-octyldecan-1-ol and 2-octyldodecan-1-ol falls within the range of the log KOWWIN model which is valid for of 18.02 to 719.92 (for the training set) and 27.03 to 991.15 (for the validation set).
For the single components of the Reaction mass of 2-hexyldecan-1-ol and 2-hexyldodecan-1-ol and 2-octyldecan-1-ol and 2-octyldodecan-1-ol, the model accounts for each fragment, therefore also for this aspect the substances fit within the domain.
The log Pow values of the 4 single copmponetns were calclated to be:
2-hexyldecan-1-ol (CAS 2425-77-6): LogPow (calc.) = 6.66
2-hexyldodecanol (CAS 110225-00-8): Log Pow (calc.) = 7.64
2-octyldecano-1-ol (CAS 45235-48-1): LogPow (calc.) = 7.64
2-octyldocecan-1-ol (CAS 5333-42-6) Log Pow (calc.) = 8.63
These calculated values correlate well with the experimentally derived logPows:
2-hexyldecan-1-ol (CAS 2425-77-6): LogPow(exp.) = 6.8
2-hexyldodecanol (CAS 110225-00-8): Log Pow (exp.) = 7.7
2-octyldecano-1-ol (CAS 45235-48-1): LogPow (exp.) = 7.7
2-octyldocecan-1-ol (CAS 5333-42-6) Log Pow (exp.) > 8
The mean LogPow of the the single components of Reaction mass of 2-hexyldecan-1-ol and 2-hexyldodecan-1-ol and 2-octyldecan-1-ol and 2-octyldodecan-1-ole is about 7.76 based on the weighes mean which is supported by the experimental determination.
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