Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 226-247-6 | CAS number: 5333-84-6
Partition coefficient
Administrative data
Link to relevant study record(s)
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
