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Physical & Chemical properties

Partition coefficient

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Description of key information

Partition coefficient (LogPow): 1.75 as anhydride

Partition coefficient (LogPow): 0.96 as acid (undissociated)

Partition coefficient (LogD): -4.37 as acid (dissociated, environmental conditions at pH= 8)

Key value for chemical safety assessment

Log Kow (Log Pow):
-4.37
at the temperature of:
25 °C

Additional information

Partition coefficients have been investigated using methods in accordance with accepted OECD/EU test and in-silico methods.

A LogPow of 1.75 was determined for 1,2,3,6-tetrahydro-3-methylphthalic anhydride (3-MTHPA D4)

A LogPow of 1.04 was calculated for undissociated 3-Methylcyclohex-4-ene-1,2-dicarboxylic acid (3-MTHPAc D4)

3-MTHPA D4 is hydrolysed practically instantaneously to 3-MTHPAc D4, then for the environmental and PBT assessments, the acid form was considered more significant, with logD= -4.37

Considering all the charge-state forms of 3-MTHPAc D4 dissolved in water and in octanol, a LogD (distribution coefficient) was estimated taking account for the pH dependence of the substance in aqueous solution.