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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.