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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Principles of method if other than guideline:
Method: other (calculated by SRC KOWWIN v1.67)
GLP compliance:
no
Type of method:
other: calcualted
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
α-hydroxy-β,β-dimethyl-γ-butyrolactone
EC Number:
209-963-3
EC Name:
α-hydroxy-β,β-dimethyl-γ-butyrolactone
Cas Number:
599-04-2
Molecular formula:
C6H10O3
IUPAC Name:
(3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.973
Temp.:
25 °C

Any other information on results incl. tables

Study was performed without adjustment of pH value.

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Applicant's summary and conclusion