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EC number: 259-869-1 | CAS number: 55860-53-2
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- 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)CC(C)C
CHEM : Carbamothioic acid, ethyl-, o-(2-methylpropyl) ester
CAS Num: 55860-53-2
MOL FOR: C7 H15 N1 O1 S1
MOL WT : 161.26
Log Kow: 3.81 (KowWin estimate)
Wat Sol: 37.72 mg/L (WskowWin estimate) - Reference substance (positive control):
- not required
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 2.344 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- 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 2.344 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 2.344 mg/l therefore that the substance is effectively moderately toxic to Daphnid.
Daphnid , 48-hr LC50 = 2.344 mg/L (ppm)
- 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)CC(C)C
CHEM : Carbamothioic acid, ethyl-, o-(2-methylpropyl) ester
CAS Num: 55860-53-2
MOL FOR: C7 H15 N1 O1 S1
MOL WT : 161.26
Log Kow: 3.81 (KowWin estimate)
Wat Sol: 37.72 mg/L (WskowWin estimate) - Reference substance (positive control):
- not required
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.873 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 0.873 mg/l therefore that the substance is effectively highly toxic to Mysid shrimp.
- 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 0.873 mg/l therefore that the substance is effectively highly toxic to Mysid shrimp.
- Executive summary:
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 0.873 mg/l therefore that the substance is effectively highly toxic to Mysid shrimp.
Referenceopen allclose all
Overview of QSARs estimations on short-term aquatic toxicity of
O-isobutyl ethylthiocarbamate to Daphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Daphnid , 48-hr LC50 = 2.344 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 0.362 mg/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 2.344 mg/l therefore that the substance is effectively moderately toxic to Daphnid.
Daphnid , 48-hr LC50 = 2.344 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 0.363 mg/L (ppm)
Overview of QSARs estimations on short-term aquatic toxicity of O-isobutyl ethylthiocarbamate to Mysid shrimp
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Mysid Shrimp, 96 -hr, LC50= 0.873 mg/L (ppm) Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.044 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Mysid Shrimp, 96 -hr, LC50= 0.873mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.044 mg/L (ppm)
Description of key information
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 2.344 mg/l therefore that the substance is effectively moderately toxic to Daphnid.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 2.344 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 0.234 mg/L
Additional information
The ECOSAR QSAR model predicts that LC50 for fresh water species cited would to be 2.344 mg/l therefore that the substance is effectively moderately toxic to Daphnid.
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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