Registration Dossier

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Online QSAR calculation
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
equivalent or similar to
Guideline:
other: REACH guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals, May 2008.
Principles of method if other than guideline:
SPARC QSAR
Dissociating properties:
no
No.:
#1
pKa:
15.05
Temp.:
20 °C
Remarks on result:
other: Dissociation of hydroxyl proton.
Conclusions:
2-Ethylhexyl lactate does not dissociate within up to a pH of 14.
Executive summary:

According to a QSAR calculation using SPARC, 2-ethylhexyl lactate does not dissociate within up to a pH of 14.

Description of key information

According to a QSAR calculation using SPARC, ethylhexyl lactate does not dissociate within up to a pH of 14.

Key value for chemical safety assessment

pKa at 20°C:
15.05

Additional information