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Short-term toxicity to aquatic invertebrates

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Endpoint:
short-term toxicity to aquatic invertebrates
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 4.0/ECOSARv1.00
GLP compliance:
no
Remarks:
not applicable. QSAR model
Analytical monitoring:
not required
Vehicle:
no
Test organisms (species):
other: Mysid shrimp
Details on test organisms:
Scientific name: Americamysis bahia
Common name: Opossum shrimp, Mysid shrimp, Mysids
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Hardness:
not applicable. QSAR model
Test temperature:
not applicable. QSAR model
pH:
not applicable. QSAR model
Dissolved oxygen:
not applicable. QSAR model
Salinity:
not applicable. QSAR model
Nominal and measured concentrations:
not applicable. QSAR model
Details on test conditions:
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
CAS Number: 141-98-0
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
Log Kow: 3.32 (KowWin estimate)
Wat Sol: 114.4 mg/L (WskowWin estimate)


Reference substance (positive control):
not required
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
3.06 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Details on results:
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 3.06 mg/l therefore that the substance is effectively moderately toxic to Mysid shrimp.

Overview of QSARs estimations on short-term aquatic toxicity of O-isopropyl ethylthiocarbamate (IPETC ) to Mysid shrimp   

 

Method

 

Results

Remarks

Reference

QSAR

estimate

Mysid Shrimp, 96 -hr, LC50= 3.060 mg/L (ppm)

Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.179 mg/L (ppm)

 

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

    

Mysid Shrimp, 96 -hr, LC50= 3.060 mg/L (ppm)

Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.179 mg/L (ppm)

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 3.06 mg/l therefore that the substance is effectively moderately toxic to Mysid shrimp.
Executive summary:

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 3.06 mg/l therefore that the substance is effectively moderately toxic to Mysid shrimp.

 

 

Endpoint:
short-term toxicity to aquatic invertebrates
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 4.0/ECOSARv1.00
GLP compliance:
no
Remarks:
not applicable. QSAR model
Analytical monitoring:
not required
Vehicle:
no
Test organisms (species):
other: Daphnid species
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
48 h
Hardness:
not applicable. QSAR model
Test temperature:
not applicable. QSAR model
pH:
not applicable. QSAR model
Dissolved oxygen:
not applicable. QSAR model
Salinity:
not applicable. QSAR model
Nominal and measured concentrations:
not applicable. QSAR model
Details on test conditions:
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
CAS Number: 141-98-0
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
Log Kow: 3.32 (KowWin estimate)
Wat Sol: 114.4 mg/L (WskowWin estimate)

Reference substance (positive control):
not required
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
5.383 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality

Overview of QSARs estimations on short-term aquatic toxicity of

O-isopropyl ethylthiocarbamate (IPETC ) to Daphnid     

Method

 

Results

Remarks

Reference

QSAR

estimate

Daphnid , 48-hr LC50 = 5.383mg/L (ppm)

 

Daphnid, 30-day, ChV (chronic value) = 0.769mg/L (ppm)

 

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 5.383 mg/l therefore that the substance is effectively moderately toxic to Daphnid. 

Daphnid , 48-hr LC50 = 5.383mg/L (ppm)

Daphnid, 30-day, ChV (chronic value) = 0.769mg/L (ppm)

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 5.383 mg/l therefore that the substance is effectively moderately toxic to Daphnid.
Executive summary:

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 5.383 mg/l therefore that the substance is effectively moderately toxic to Daphnid.

 Daphnid , 48-hr LC50 = 5.383 mg/L (ppm)

Description of key information

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 5.383 mg/l therefore that the substance is effectively moderately toxic to Daphnid. 
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 3.06 mg/l therefore that the substance is effectively moderately toxic to Mysid shrimp.
The available data for marine water short-term to aquatic invertebrate are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to LC50 following the “Guidance on Information Requirement and Chemical Safety Assessment R.10: Characterisation of dose [concentration]- response for environment”and “Table R.10-5 Assessment factors proposed for deriving PNEC water for saltwater for different data sets”, to account for the possibility that greater taxonomic diversity in the marine environment makes it likely that some marine taxa may be more sensitive than the most sensitive freshwater taxa.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Effect concentration:
5.383 mg/L

Marine water invertebrates

Marine water invertebrates
Effect concentration:
0.538 mg/L

Additional information

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 5.383 mg/l therefore that the substance is effectively moderately toxic to Daphnid.

The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 3.06 mg/l therefore that the substance is effectively moderately toxic to Mysid shrimp.

The available data for marine water short-term to aquatic invertebrate are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to LC50 following the “Guidance on Information Requirement and Chemical Safety Assessment R.10: Characterisation of dose [concentration]- response for environment”and “Table R.10-5 Assessment factors proposed for deriving PNEC water for saltwater for different data sets”, to account for the possibility that greater taxonomic diversity in the marine environment makes it likely that some marine taxa may be more sensitive than the most sensitive freshwater taxa.