S-allyl O-pentyl dithiocarbonate

Toxicity to soil macroorganisms except arthropods

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

toxicity to soil macroorganisms except arthropods: long-term

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: US EPA accepted QSAR method for chemicals properties assessment.

Qualifier:

according to guideline

Guideline:

other: QSAR

Principles of method if other than guideline:

ECOSAR Program (v1.00)

GLP compliance:

no

Remarks:

not applicable to QSAR models

Analytical monitoring:

no

Vehicle:

no

Test organisms (species):

other: earthworm

Animal group:

other: QSAR model

Study type:

other: QSAR

Substrate type:

other: QSAR

Limit test:

no

Total exposure duration:

14 d

Test temperature:

not applicable. QSAR model

pH:

not applicable. QSAR model

Moisture:

not applicable. QSAR model

Details on test conditions:

SMILES : O(C(=S)SCC=C)CCCCC
CHEM : Carbonic acid, dithio-, S-allyl O-pentyl ester
CAS Num: 2956-12-9
MOL FOR: C9 H16 O1 S2
MOL WT : 204.35
Log Kow: 3.329 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 59.63 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Reference substance (positive control):

no

Duration:

14 d

Dose descriptor:

LC50

Effect conc.:

993.122 mg/kg soil ww

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

not specified

Remarks on result:

other: 1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Details on results:

LC50 (14-day, earthworm)= 993.122 mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)=993.122 mg/kg soil dw

Reported statistics and error estimates:

US EPA accepted QSAR method for chemicals properties assessment.

Overview of QSARs estimations on toxicity of S-allyl O-pentyl dithiocarbonate

to soil macroorganisms

Method	Results	Remarks	Reference
QSAR estimate	LC50 (14-day, earthworm)= 993.122 mg/L (ppm)	Reliable withrestrictions, QSAR estimated data	ECOSAR Program (v1.00)

 

 

LC50 (14-day, earthworm)= 993.122 mg/kg soil dw

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

LC50 (14-day, earthworm)= 993.122 mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)=993.122 mg/kg soil dw

Executive summary:

The ECOSAR QSAR model predicts that 14-day, LC50 (14-day, earthworm) would to be 993.122 mg/L (ppm).

1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

LC50 (14-day, earthworm)= 993.122 mg/kg soil dw

Reference 2

Endpoint:

toxicity to soil macroorganisms except arthropods: long-term

Data waiving:

exposure considerations

Justification for data waiving:

the study does not need to be conducted because direct and indirect exposure of the soil compartment is unlikely

Description of key information

The ECOSAR QSAR model predicts that 14-day, LC50 (14-day, earthworm)would to be 993.122 mg/L (ppm).

1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Key value for chemical safety assessment

Short-term EC50 or LC50 for soil macroorganisms:

993.122 mg/kg soil dw

Long-term EC10, LC10 or NOEC for soil macroorganisms:

198.62