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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

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:
accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on information requirements and chemicals safety assessment R 7C
Version / remarks:
Version 3.0, June 2017
Principles of method if other than guideline:
The BCF of both components of the reaction mass were additionally calculated by the BCFBAF program of EpiSuite, version 4.1
This is advised in the REACH Guidance for ionisable compounds. As the program does not allow ionized structured to be entered, the neutral molecules were used. The results of these calculations are considered worst-case as the solubility of these neutral molecules are lower than the ionized versions.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
C16MES
IUPAC Name:
C16MES
Constituent 2
Reference substance name:
C18MES
IUPAC Name:
C18MES
Specific details on test material used for the study:
SMILES C16MES: O=C(C(CCCCCCCCCCCCCC)S(=O)(=O)O)OC
SMILES C18MES: O=C(C(CCCCCCCCCCCCCCCC)S(=O)(=O)O)OC

Results and discussion

Bioaccumulation factoropen allclose all
Type:
BCF
Value:
70.8 L/kg
Basis:
whole body w.w.
Calculation basis:
other: QSAR
Remarks on result:
other: C18MES
Type:
BCF
Value:
70.8 L/kg
Basis:
whole body w.w.
Calculation basis:
other: QSAR
Remarks on result:
other: C16MES

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF values as calculated by BCFBAF of EpiSuite were both 70.8 L/kg wwt.