Piperonyl acetate

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

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 QSARs R.6 (QSPR model adapted specifically from OECD 401 test guideline)

Principles of method if other than guideline:

A Quantitative Structure Activity Relationship (QSAR) model was used to predict the Acute Oral Toxicity of the test item Piperonyl acetate. This QSAR model has 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. 401: Acute Oral Toxicity”. The in silico study aims to predict the Acute Oral Toxicity of the test item using the Danish QSAR Database.

Test type:

other: QSAR prediction

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

Test animals

Species:

rat

Strain:

not specified

Sex:

not specified

Administration / exposure

Route of administration:

oral: unspecified

Results and discussion

Effect levels

Key result

Sex:

not specified

Dose descriptor:

LD50

Effect level:

ca. 1 700 mg/kg bw

Based on:

test mat.

Remarks on result:

other: Reliability Index = 0.79 (high prediction reliability)

Remarks:

QSAR predicted value

Applicant's summary and conclusion

Interpretation of results:

Category 4 based on GHS criteria

Conclusions:

According to QSAR model, the acute oral toxicity (Oral Rat LD50) for the test item was predicted as 1700 mg/kg/d with a 0.79 Reliability Index (high prediction reliability).