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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other: EPIWin calculation
Title:
EPIWIN calculations for neodecanoic acid
Author:
BASF SE
Year:
2009
Bibliographic source:
BASF SE, Department of Product Safety, unpublished calculation, EPISuite V4.00, 02.Sep.2009

Materials and methods

Test guideline
Guideline:
other: Calculation using SRC KOWWIN v1.67
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Neodecanoic acid
EC Number:
248-093-9
EC Name:
Neodecanoic acid
Cas Number:
26896-20-8
Molecular formula:
C10H20O2
IUPAC Name:
2-ethyl-2,5-dimethylhexanoic acid
Details on test material:
- Name of test material (as cited in study report): neodcanoic acid
- Analytical purity: pure substance
- Other: hydrolysis product of neodecanoyl chloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.9
Temp.:
25 °C

Any other information on results incl. tables

The estimates refer to the uncharged molecule.

Applicant's summary and conclusion