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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

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Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2023-02-13
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
according to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals
Deviations:
no
GLP compliance:
no
Specific details on test material used for the study:
SMILES (canonical): CC(C(=O)OC)O
Dissociating properties:
no
No.:
#1
pKa:
11.6
Temp.:
25 °C
Remarks on result:
other: calculated
Conclusions:
Based on the calculated pKa value (11.6) Methyl (S)-lactate can be regarded as not dissociative at environmentally relevant pH.
Executive summary:

For the determination of the pKa value the acidic pKa (OASIS Consensus) model (as included in the OECD QSAR toolbox (Version 4.5)) has been applied. The calculated pKa value of 11.6 indicates that methyl (S)-lactate has no dissociative properties in environmentally relevant conditions.

Description of key information

The pKa has been calculated to be (OASIS consensus model) 11.6.

Key value for chemical safety assessment

pKa at 20°C:
11.6

Additional information

Based on the OASIS consensus method, a pKa value of methyl (S)-lactate of 11.6 has been determined at 25 °C.