Registration Dossier
Registration Dossier
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EC number: 245-524-2 | CAS number: 23251-72-1
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient (log Pow) of DEA acetate was predicted to be less than -1.31. Due to EUSES limitations, a value of -1 is used in CSA.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.31
- at the temperature of:
- 20 °C
Additional information
A reliable OECD Guideline study was performed to GLP to estimate the n-octanol-water partition coefficient (Pow) of DEA acetate. Due to its high water solubility (at least 1000 g/L), Pow and log Pow could not be estimated for this compound. Log Pow and Log D were therefore calculated at pH7 for DEA and TEA acetate using the Rekker calculation method. Based on the log D calculations, DEA acetate was expected to have a lower log Pow than TEA acetate (Brekelmans, 2010a).
The partition coefficient of TEA acetate was estimated in another reliable guideline study, performed to GLP. It's solubility in water and n-octanol were determined experimentally, and a Pow of < 4.88 x 10^-2 (log Pow <-1.31) was calculated from these values (Brekelmans, 2010b).
Further weight is leant to the prediction of a low log Pow value for DEA acetate by the supporting substance RA1. In a good quality guideline study, performed to GLP, using the flask shaking method predicted, log Pow was determined to be -2.0 (Tognucci, 2000a). Similarly, a calculation method based on solubility in n-octanol and water predicted the log Pow of another supporting substance, RA2, to be -2.3 in a good-quality investigation (Schmiedel, 1997a).
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