Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Toxicity to soil macroorganisms except arthropods

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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

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

Additional information