Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

The partition coefficient (log Pow) of DAA was calculated using the ACD/I-Lab service ACD/LogP v8.02 and was reported as -0.09.  The log Pow of DAA also was read-across from its parent compound MIBK, for which a measured log Pow of 1.9 using a reverse-phase HPLC method.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.09
at the temperature of:
20 °C

Additional information

The partition coefficient (log Pow) of DAA was calculated using the ACD/I-Lab service ACD/LogP v8.02, which predicated a value of -0.09 ± 0.25 (no information on temperature and pH reported). The log Pow of DAA was also partially read-across from that of methyl i-butyl ketone (MIBK).  Metabolic data demonstrate that MIBK is metabolized to DAA by the hepatic microsomal mixed function oxidase system. As such, MIBK may be used as an appropriate surrogate for DAA since exposure to MIBK ultimately results in the rapid formation of DAA. The log Pow value of MIBK was measured using a reverse-phase HPLC method, conducted in compliance with the OECD Guideline 117 at a pH of 6.7, and was determined to be 1.9.