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Long-term toxicity to fish

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Endpoint:
long-term toxicity to fish
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)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):
no
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
0.894 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 0.894 mg/l was established.
Fish 30-day ChV = 0.894 mg/L (ppm)
Fish (SW) 30-day ChV = 2.441mg/L (ppm
Fish, 14-dayLC50 = 8.114mg/L (ppm)



Overview of QSARs estimations on long term aquatic toxicity of O-isopropyl ethylthiocarbamate(IPETC )to fish

Method

 

Results

Remarks

Reference

QSAR

estimate

Fish, 96-hr LC50 =7.856 mg/L (ppm)

Fish, 96-hr (SW) LC50 =9.881 mg/L (ppm)

Fish 30-day ChV = 0.894 mg/L (ppm)

Fish (SW) 30-day ChV = 2.441mg/L (ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

Fish, 96-hr LC50 =7.856mg/L (ppm)

Fish, 96-hr (SW) LC50 =9.881mg/L (ppm)

Fish 30-day ChV = 0.894mg/L (ppm)

Fish (SW) 30-day ChV = 2.441mg/L (ppm

Fish, 14-dayLC50 =8.114mg/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 0.894 mg/l was established.
Fish 30-day ChV = 0.894 mg/L (ppm)
Fish (SW) 30-day ChV = 2.441mg/L (ppm
Fish, 14-dayLC50 = 8.114mg/L (ppm)



Executive summary:

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.894 mg/l therefore the substance is highly toxic to fishes.

Endpoint:
long-term toxicity to fish
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)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):
no
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
2.441 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 2.441 mg/l was established.
Fish 30-day ChV = 0.894 mg/L (ppm)
Fish (SW) 30-day ChV = 2.441mg/L (ppm
Fish, 14-dayLC50 = 8.114mg/L (ppm)



Overview of QSARs estimations on long term aquatic toxicity of O-isopropyl ethylthiocarbamate(IPETC ) to fish

Method

 

Results

Remarks

Reference

QSAR

estimate

Fish, 96-hr LC50 =7.856 mg/L (ppm)

Fish, 96-hr (SW) LC50 =9.881 mg/L (ppm)

Fish 30-day ChV = 0.894 mg/L (ppm)

Fish (SW) 30-day ChV = 2.441 mg/L (ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

Fish, 96-hr LC50 =7.856mg/L (ppm)

Fish, 96-hr (SW) LC50 =9.881mg/L (ppm)

Fish 30-day ChV = 0.894mg/L (ppm)

Fish (SW) 30-day ChV = 2.441mg/L (ppm

Fish, 14-dayLC50 =8.114mg/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 marine water fish of 2.441 mg/l was established.
Fish 30-day ChV = 0.894 mg/L (ppm)
Fish (SW) 30-day ChV = 2.441mg/L (ppm
Fish, 14-dayLC50 = 8.114mg/L (ppm)



Executive summary:

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish (SW) would to be 2.441 mg/l therefore the substance is moderately toxic to fishes.

Description of key information

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.894 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 (SW) would to be 2.441 mg/l therefore the substance is moderately toxic to fishes.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
0.894 mg/L

Marine water fish

Marine water fish
Effect concentration:
2.441 mg/L

Additional information

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.894 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 (SW) would to be 2.441 mg/l therefore the substance is moderately toxic to fishes.