Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Values estimated with the Endpoint estimater in QSAR Toolbox.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Estimated value based on the various molecular fragments.
GLP compliance:
no
Type of method:
other: KOWWIN Program (v1.68)
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
5.71
Temp.:
25 °C
pH:
7
Conclusions:
The Log Pow for the test material is estimated to be > 4.5.
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Based on trend analysis of data from a publictation
Principles of method if other than guideline:
Based on the relation between the logKow and the number of carbons in the alkyl chain.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.3
Temp.:
25 °C
pH:
7
Remarks on result:
other: Based on the relation: LogKow=0.519C-0.966, with C the number of carbons in the alkyl chain.

Curve logKow versus number of carbons based on the publication:

Alkyl lactate Number of carbon Log Kow Bowmer
propyl lactate 3 0.591
butyl lactate 4 1.11
pentyl lactate 5 1.629
octyl lactate 8 3.186
decyl lactae 10 4.224

LogKow=0.519C-0.966

Description of key information

Based on estimation by ECOSAR or Trend analysis, the LogKow ranged from 5.7 to 6.3.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.7
at the temperature of:
25 °C

Additional information