Piperonyl acetate

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: REACH Guidance on QSAR (QSPR model adapted specifically from OECD 202 test guideline)

Principles of method if other than guideline:

Multiple Quantitative Structure Activity Relationship (QSAR) models were used to predict the Acute Aquatic Toxicity to Daphnids (48h EC50) of the test item Piperonyl acetate. These QSAR models have been designed to be used for regulatory purposes and based on the QSAR results, this report predicts the consensus endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the OECD Guideline for Testing of Chemicals No. 202, "Daphnia sp., Acute Immobilisation Test".
The in silico study aims to predict the Acute Aquatic Toxicity to Daphnids (48h EC50) of the test item Piperonyl acetate. This prediction was performed using the battery of Leadscope and SciQSAR models incorporated into Danish QSAR Database.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Piperonyl acetate

EC Number:

206-312-5

EC Name:

Piperonyl acetate

Cas Number:

326-61-4

Molecular formula:

C10H10O4

IUPAC Name:

(2H-1,3-benzodioxol-5-yl)methyl acetate

impurity 1

Reference substance name:

Piperonyl alcohol

EC Number:

207-808-4

EC Name:

Piperonyl alcohol

Cas Number:

495-76-1

Molecular formula:

C8H8O3

IUPAC Name:

1,3-benzodioxol-5-ylmethanol

Specific details on test material used for the study:

SMILES: O=C(OCc(ccc(OCO1)c12)c2)C

Sampling and analysis

Analytical monitoring:

not specified

Remarks:

QSAR prediction

Test organisms

Test organisms (species):

Daphnia sp.

Study design

Test type:

not specified

Water media type:

not specified

Limit test:

no

Total exposure duration:

48 h

Results and discussion

Effect concentrations

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

ca. 1.71 mg/L

Nominal / measured:

not specified

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other:

Remarks:

QSAR predicted value

Any other information on results incl. tables

Results with Danish QSAR Database

 

 

Model	Prediction (mg/L)
Leadscope	36.22404 mg/L (Inside applicability domain)
SciQSAR	1.714458 mg/L (inside applicability domain)
Battery result	18.96925 mg/L (inside applicability domain)
Selected result	1.714458 mg/L (inside applicability domain) Leadscope

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Remarks:

Inside QSAR applicability domain

Conclusions:

According to QSAR model, acute aquatic toxicity to Daphnids (48h EC50) predicted for the test item is 1.71 mg/L.