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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
SOFTWARE: ACD/Labs Percepta Platform PhysChem Module
Pubblished data.

Data source

Reference
Reference Type:
publication
Title:
Chemspider data base
Year:
2020
Bibliographic source:
http://www.chemspider.com

Materials and methods

Principles of method if other than guideline:
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Propane-1,2,3-triyl trinonan-1-oate
EC Number:
204-791-5
EC Name:
Propane-1,2,3-triyl trinonan-1-oate
Cas Number:
126-53-4
Molecular formula:
C30H56O6
IUPAC Name:
1,3-bis(nonanoyloxy)propan-2-yl nonanoate
Test material form:
liquid

Results and discussion

Bioaccumulation factor
Key result
pH:
5.5
Type:
BCF
Value:
> 500 dimensionless

Applicant's summary and conclusion

Conclusions:
Predicted BCF is > 500 (1000000.00).