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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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, other
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimated data generated using the EPI Suite model developed by the USEPA.

Data source

Reference
Reference Type:
other: Prediction model
Title:
Bioaccumulation by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2016
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
BCFBAF Program (v3.01)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,7-dimethylocta-2,6-dienenitrile
EC Number:
225-918-0
EC Name:
3,7-dimethylocta-2,6-dienenitrile
Cas Number:
5146-66-7
Molecular formula:
C10H15N
IUPAC Name:
3,7-dimethylocta-2,6-dienenitrile
Test material form:
other: Liquid
Details on test material:
- Name of test material (as cited in study report): 3,7-dimethylocta-2,6-dienenitrile
- Molecular formula (if other than submission substance): C10-H15-N- Molecular weight (if other than submission substance): 149.236
- Smiles notation (if other than submission substance): N#C\C=C(\CC\C=C(\C)C)C
- InChl (if other than submission substance): 1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
no

Test solutions

Vehicle:
not specified

Test organisms

Test organisms (species):
other: Fish

Study design

Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
not specified

Test conditions

Reference substance (positive control):
not specified

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
89.88 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated

Applicant's summary and conclusion

Validity criteria fulfilled:
not specified
Conclusions:
The Bioaccumulation factor (BCF) for the substance 3,7-dimethylocta-2,6-dienenitrile was estimated to be 89.88 L/kg wet-wt.
Executive summary:

The Bioaccumulation factor (BCF) for the substance 3,7-dimethylocta-2,6-dienenitrile was estimated to be 89.88 L/kg wet-wt.

This value indicates that the substance is not expected to be bioaccumulative in the food chain.