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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).