Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Online Database
Title:
KOWWIN v1.67
Author:
SRC Inc.
Year:
2016
Bibliographic source:
U.S. Environmental Protection Agency, Washington, District of Columbia

Materials and methods

Principles of method if other than guideline:
EPISuite KOWWIN v1.67 estimate
GLP compliance:
no
Type of method:
other:
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(1,3-dimethylbutyl) maleate
EC Number:
203-304-3
EC Name:
Bis(1,3-dimethylbutyl) maleate
Cas Number:
105-52-2
Molecular formula:
C16H28O4
IUPAC Name:
bis(1,3-dimethylbutyl) maleate

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 5.83
Temp.:
25 °C
pH:
ca. 7

Applicant's summary and conclusion

Conclusions:
A reliable QSAR method predicts a value for the partition coefficient n-octanol/water (log Kow) of 5.83
Executive summary:

A reliable QSAR method predicts a value for the partition coefficient n-octanol/water (log Kow) of 5.83