Registration Dossier
Registration Dossier
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EC number: 203-551-7 | CAS number: 108-11-2
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient (log Pow) of MIBC was calculated using the ACD/I-Lab service ACD/LogP v8.02 and was reported as 1.57 +/- 0.20. The log Pow of MIBC was also read-across from its major metabolite MIBK, for which for which a measured log Pow of 1.9 was determined using a reverse-phase HPLC method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.57
- at the temperature of:
- 20 °C
Additional information
The partition coefficient (log Pow) of MIBC was calculated using the ACD/I-Lab service ACD/LogP v8.02, which predicated a value of 1.57 ± 0.20 (no information on temperature or pH reported). The log Pow of MIBC was also partly read-across from that of methyl i-butyl ketone (MIBK). Metabolic data demonstrate that MIBC is rapidly and extensively metabolized to MIBK via oxidation of the alcohol functional group by alcohol dehydrogenase in the liver. As such, MIBK may be used as an appropriate surrogate for MIBC since exposure to MIBC results in the rapid formation of MIBK. 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.
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