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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: US EPA accepted QSAR method for organic chemicals properties assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
Principles of method if other than guideline:
USEPA (EPI
Suite v.4.00)
GLP compliance:
no
Remarks:
not applicable to QSAR models

Test material

Constituent 1
Chemical structure
Reference substance name:
Penta-1,3-diene
EC Number:
207-995-2
EC Name:
Penta-1,3-diene
Cas Number:
504-60-9
Molecular formula:
C5H8
IUPAC Name:
penta-1,3-diene

Results and discussion

Any other information on results incl. tables

Overview of studies on aquatic bioaccumulation ofpenta-1,3-diene

 

Method

 

Results

Remarks

Reference

QSAR estimate

BCFBAF v.3.00

Log BCF =1.28;

BCF =18.9 L/kg wet wt (regression-based estimate)

 

Biotransformation half-life =0.648 days (normalized to 10 g fish)

 

Log BAF =1.42

BAF =26.6 L/kg wet-wt

(Arnot-Gobas upper trophic)

2 (reliable with

restrictions)

 

key study

 

(Q)SAR

USEPA (EPI

Suite v.4.00)

Applicant's summary and conclusion

Conclusions:
Generally, a BCF/BAF in fish of ≥ 500 is indicative of the potential to bioconcentrate for classification purposes in accordance with CLP/GHS criteria. The BCF/BAF values estimated for penta-1,3-diene are well below the cut-off values for bioaccumulation. Therefore, penta-1,3-diene is not likely to bioaccumulate in aquatic organisms.