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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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