Registration Dossier
Registration Dossier
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EC number: 259-869-1 | CAS number: 55860-53-2
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish life cycle toxicity
- 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:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish species
- Details on test organisms:
- no further information
- Test type:
- other: QSAR model
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 30 d
- 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
- 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):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.374 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- not specified
- Basis for effect:
- not specified
- Remarks on result:
- other: cited as a ChV value
- Details on results:
- Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for fresh water fish of 0.374 mg/l was established.
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm) - Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for fresh water fish of 0.374 mg/l was established.
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm) - Executive summary:
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.374 mg/l therefore the substance is highly toxic to fishes.
- Endpoint:
- fish life cycle toxicity
- 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:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish species
- Details on test organisms:
- no further information
- Test type:
- other: QSAR model
- Water media type:
- saltwater
- Limit test:
- no
- Total exposure duration:
- 30 d
- 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
- 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):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.311 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- not specified
- Basis for effect:
- not specified
- Remarks on result:
- other: cited as a ChV value
- Details on results:
- Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for marine water fish of 1.311 mg/l was established.
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm) - Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for fresh water fish of 1.311 mg/l was established.
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm) - Executive summary:
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish would to be 1.311 mg/l therefore the substance is moderately toxic to fishes.
Referenceopen allclose all
Overview of QSARs estimations on long term aquatic toxicity of O-isobutyl ethylthiocarbamate to fish
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Fish, 96-hr LC50 =3.181mg/L (ppm) Fish, 96-hr (SW) LC50 =3.855mg/L (ppm) Fish 30-day ChV =0.374 mg/L (ppm) Fish (SW) 30-day ChV =1.311mg/L (ppm) Fish, 14-dayLC50 = 3.312 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Fish, 96-hr LC50 =3.181mg/L (ppm)
Fish, 96-hr (SW) LC50 =3.855mg/L (ppm)
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm)
Overview of QSARs estimations on long term aquatic toxicity of O-isobutyl ethylthiocarbamate to fish
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Fish, 96-hr LC50 =3.181mg/L (ppm) Fish, 96-hr (SW) LC50 =3.855mg/L (ppm) Fish 30-day ChV =0.374 mg/L (ppm) Fish (SW) 30-day ChV =1.311mg/L (ppm) Fish, 14-dayLC50 = 3.312 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Fish, 96-hr LC50 =3.181mg/L (ppm)
Fish, 96-hr (SW) LC50 =3.855mg/L (ppm)
Fish 30-day ChV =0.374 mg/L (ppm)
Fish (SW) 30-day ChV =1.311mg/L (ppm)
Fish, 14-dayLC50 = 3.312 mg/L (ppm)
Description of key information
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.374 mg/l therefore the substance is highly toxic to fishes.
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish would to be 1.311 mg/l therefore the substance is moderately toxic to fishes.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 0.374 mg/L
Marine water fish
Marine water fish
- Effect concentration:
- 1.311 mg/L
Additional information
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.374 mg/l therefore the substance is highly toxic to fishes.
The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish would to be 1.311 mg/l therefore the substance is moderately toxic to fishes.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
