S-allyl O-pentyl dithiocarbonate

Repeated dose toxicity: oral

Administrative data

Endpoint:

chronic toxicity: oral

Remarks:

QSAR model

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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

Justification for type of information:

QSAR prediction: Accepted HESS QSAR method for chemicals properties assessment.. This method is relevant for Repeated dose oral toxicity endpoints in mammals.

Data source

Reference

Reference 1

Reference Type:

other: QSAR model

Title:

Unnamed

Year:

2015

Reference 2

Reference Type:

publication

Title:

Combined repeated dose/reproductive/developmental toxicity screening study

Author:

Ministry of Health, Labour and Welfare

Year:

2004

Bibliographic source:

harmaceutical and Food Safety Bureau, Office of Chemical Safety, Japan. 2004.

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: QSAR Toolbox Version 3.3.5.17

Principles of method if other than guideline:

The profiler was developed by National Institute of Technology and Evaluation (NITE) in the contract research project “Development of Hazard Assessment Techniques by using Structure-activity Method (FY2007-FY2011)” by New Energy and Industrial Technology Development

GLP compliance:

no

Remarks:

not applicable HESS QSAR method for chemicals properties assessment.

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

S-allyl O-pentyl dithiocarbonate

EC Number:

220-977-9

EC Name:

S-allyl O-pentyl dithiocarbonate

Cas Number:

2956-12-9

Molecular formula:

C9H16OS2

IUPAC Name:

(pentyloxy)(prop-2-en-1-ylsulfanyl)methanethione

Test animals

Species:

rat

Strain:

other: QSAR model

Sex:

male/female

Administration / exposure

Route of administration:

other: QSAR model

Vehicle:

other: QSAR model

Analytical verification of doses or concentrations:

no

Details on analytical verification of doses or concentrations:

QSAR model

Duration of treatment / exposure:

QSAR model

Frequency of treatment:

QSAR model

Doses / concentrations

Remarks:

Doses / Concentrations:

Basis:
other: QSAR model

No. of animals per sex per dose:

QSAR model

Control animals:

other: QSAR model

Details on study design:

The profiler contains category boundaries to be expected to induce similar toxicological effects in repeated dose oral toxicity. These category boundaries were developed based on repeated dose toxicity test data in the database of Hazard Evaluation Support System (HESS). Justification for each category (mechanistic or empirical information) is described.

Examinations

Observations and examinations performed and frequency:

This grouping method contains simple categories for Repeated dose oral toxicity. This method is relevant for Repeated dose oral toxicity endpoints in mammals.
The database include a set of 75 chemicals that have been evaluated for their repeated dose oral toxicity potential.

Other examinations:

This grouping method contains simple categories for Repeated dose oral toxicity. This method is relevant for Repeated dose oral toxicity endpoints in mammals.
The database include a set of 75 chemicals that have been evaluated for their repeated dose oral toxicity potential.

Results and discussion

Results of examinations

Clinical signs:

no effects observed

Mortality:

no mortality observed

Body weight and weight changes:

no effects observed

Details on results:

In the present study, NOAEL for Repeated dose oral toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested).

Effect levels

Dose descriptor:

NOAEL

Effect level:

385 mg/kg bw/day (nominal)

Based on:

act. ingr.

Sex:

male/female

Basis for effect level:

other: In the present study, NOAEL for Repeated dose oral toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested).

Target system / organ toxicity

Critical effects observed:

not specified

Any other information on results incl. tables

See attached background material and QSAR study report

Applicant's summary and conclusion

Conclusions:

In the present study, NOAEL for Repeated dose oral toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested).This grouping method contains simple categories for Repeated dose oral toxicity. This method is relevant for Repeated dose oral toxicity endpoints in mammals.
The database include a set of 75 chemicals that have been evaluated for their repeated dose oral toxicity potential.

Executive summary:

In the (Q)SAR study, NOAEL for Repeated dose oral toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested) for S-allyl O-pentyl dithiocarbonate. This HESS QSAR grouping method contains simple categories for Repeated dose oral toxicity.This method is relevant for Repeated dose oral toxicity endpoints in mammals. The database include a set of 75 chemicals that have been evaluated for their repeated dose oral toxicity potential.