S-allyl O-pentyl dithiocarbonate

Sediment toxicity

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

sediment toxicity: 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 model

Principles of method if other than guideline:

EPI Suite v 4.1/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable. QSAR model

Analytical monitoring:

not required

Vehicle:

no

Test organisms (species):

other: Earthworm

Details on test organisms:

no further information

Study type:

other: QSAR model

Test type:

other: QSAR model

Water media type:

freshwater

Type of sediment:

not specified

Limit test:

no

Duration:

14 d

Exposure phase:

total exposure duration

Hardness:

not applicable to QSAR models

Test temperature:

not applicable to QSAR models

pH:

not applicable to QSAR models

Dissolved oxygen:

not applicable to QSAR models

Salinity:

not applicable to QSAR models

Ammonia:

not applicable to QSAR models

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 sediment dw

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

other: QSAR model

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

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

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

 

  

LC50 (14-day, earthworm)= 993.122 mg/L (ppm)

 

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 value would to be  993.122 mg/L (ppm) for freshwater sediment.

Reference 2

Endpoint:

sediment toxicity: long-term

Data waiving:

other justification

Justification for data waiving:

other:

Description of key information

The ECOSAR QSAR model predicts that 14 -day LC50 value would to be  993.122 mg/L (ppm) for freshwater sediment.

Key value for chemical safety assessment

EC50 or LC50 for freshwater sediment:

993.122 mg/kg sediment dw

EC50 or LC50 for marine water sediment:

99.31 mg/kg sediment dw

EC10, LC10 or NOEC for freshwater sediment:

198.62 mg/kg sediment dw

EC10, LC10 or NOEC for marine water sediment:

19.86 mg/kg sediment dw