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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Materials and methods

Principles of method if other than guideline:
BCF QSAR (EPISUITE) as implemented in OECD QSAR Toolbox 4.2

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethylhexyl 3-mercaptopropionate
EC Number:
256-589-1
EC Name:
2-ethylhexyl 3-mercaptopropionate
Cas Number:
50448-95-8
Molecular formula:
C11H22O2S
IUPAC Name:
2-ethylhexyl 3-sulfanylpropanoate
Test material form:
liquid

Results and discussion

Bioaccumulation factoropen allclose all
Type:
BCF
Value:
2.42 other: log(L/kg bdwt)
Key result
Type:
BCF
Value:
263 L/kg

Applicant's summary and conclusion