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EC number: 203-898-4
CAS number: 111-71-7
The pKa of heptanal has been estimated by
SPARC (a QSAR method) which is a recommended software program to predict
pKa by ECHA (the Guidance on information requirements and chemical
safety assessment Chapter R.7a: Endpoint specific guidance, table R.7
The pKa estimated is -5,2.
According to the Guidance on information
requirements and chemical safety assessment Chapter R.7a: Endpoint
specific guidance, R.18.104.22.168 (ECHA, 2008), if the estimated pKa by QSPR
method it is not in the environmentally-relevant pH range (5 -9) a test
is not necessary. Therefore, as the
value of the dissociation constant is not considered critical for the
risk assesment, it is assumed to use this data as a key study.
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.
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