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Sediment toxicity

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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:
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.

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

Additional information