Registration Dossier
Registration Dossier
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EC number: 605-539-0 | CAS number: 169115-74-6
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The logarithmic octanol-water partition coefficient (log Kow) for 1 -amino-2 -propanol was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.1. The log Kow was estimated to be -1.1946.
The logarithmic octanol-water partition coefficient (log Kow) for ethyleneglycol was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.1. The log Kow was estimated to be -1.1996.
The logarithmic octanol-water partition coefficient (log Kow) for 2 -hydroxypropylcarbamic acid was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.1. The log Kow was estimated to be -1.9655.
The predicted value can be considered reliable yielding a useful result for further assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.12
Additional information
In general, log Kow would be determined experimentally. However, the substance consists of two ionic compounds with high water solubility that will hardly dissolve in octanol. Furthermore, the ionic substances may only be analyzed with NMR which is not applicable in this case. And, finally, ECHA Guidance R. 7a (v. 2.0, November 2012) gives that for salts of organic compounds (which is the case here) QSAR is valuable for log Kow assessment of each single compound.
In conclusion, QSAR calculation was used to describe the partition coefficient of the substance compounds and showed that log Kow of neutral molecules was low and would even be lower if molecules are dissociated. QSAR results show that log Kow is far below the thresholds for e.g. PBT assessment and, therefore, QSAR estimation of log Kow is appropriate for the assessment.
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