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Long-term toxicity to aquatic invertebrates

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Endpoint:
long-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
Principles of method if other than guideline:
EPI Suite v 4.0/ECOSARv1.00
GLP compliance:
no
Remarks:
not applicable to QSAR models
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
other: Daphnid 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.:
0.769 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:
Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) =0.769 mg/L (ppm)

 Overview of QSARs estimations on long-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) = 0.769 mg/L (ppm)

 

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 0.769 mg/l therefore that the substance is effectively highly toxic to Daphnid. 

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

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

 

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
Daphnid, 30-day,NOEC cited as ChV (chronic value) = 0.769 mg/L
Executive summary:

The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 0.769 mg/l therefore that the substance is effectively highly toxic to Daphnid. 

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

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

Endpoint:
long-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
Principles of method if other than guideline:
EPI Suite v 4.0/ECOSARv1.00
GLP compliance:
no
Remarks:
not applicable to QSAR models
Analytical monitoring:
not specified
Vehicle:
not specified
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:
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.:
0.179 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:
Mysid Shrimp (SaltWater), 30-day,NOEC cited as ChV (chronic value) = 0.179 mg/L (ppm)

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

Method

 

Results

Remarks

Reference

QSAR

estimate

 Mysid Shrimp, 96 -hr, LC50= 3.060/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=  3.060mg/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:
Mysid Shrimp, 96 -hr, LC50=3.060 mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) =  0.179 mg/L (ppm)
Executive summary:

Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC cited as a ChV  (chronic value) for marine water (SW) aquatic invertebrates of 0.179 mg/L (ppm) was established.

Endpoint:
long-term toxicity to aquatic invertebrates
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
1985
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Justification for type of information:
Propan-2-ol (Isopropyl alcohol) is both reagents used in the manufacture of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol. Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol) need to be considered in the assessment of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol .
Qualifier:
according to guideline
Guideline:
other: other: Prolonged Toxicity Test
Principles of method if other than guideline:
At the start of the experiments and after 16 days the lengths of daphnids exposed to the test compound were measured. The NOEC on growth is defined as the highest concentration which did not result in a significant reduction in growth at P<0.001
GLP compliance:
no
Analytical monitoring:
no
Vehicle:
not specified
Test organisms (species):
Daphnia magna
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Total exposure duration:
16 d
Hardness:
NR
Test temperature:
NR
pH:
NR
Dissolved oxygen:
NR
Reference substance (positive control):
not specified
Duration:
16 d
Dose descriptor:
NOEC
Effect conc.:
141 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth
Details on results:
A 16 d NOEC of 141 mg/L has been determined for growth rate effects to Daphnia magna of the test substance.
Propan-2-ol (Isopropyl alcohol) is both reagents used in the manufacture of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol. Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol) need to be considered in the assessment of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol .
Validity criteria fulfilled:
not specified
Conclusions:
A 16 d NOEC of 141 mg/L has been determined for growth rate effects to Daphnia magna of the test substance.
Propan-2-ol (Isopropyl alcohol) is both reagents used in the manufacture of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol. Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol) need to be considered in the assessment of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol .
Executive summary:

A 16 d NOEC of 141 mg/L has been determined for growth rate effects to Daphnia magna of the test substance.

Propan-2-ol (Isopropyl alcohol) is both reagents used in the manufacture of Reaction mass of O-isopropyl ethylthiocarbamateand n-butanol and propan-2-ol.Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol) need to be considered in the assessment of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol  and propan-2-ol .

Description of key information

The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 0.769 mg/l therefore  the substance is effectively highly toxic to Daphnid.  
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC cited as a ChV (chronic value) for marine water (SW) aquatic invertebrates of 0.179 mg/L (ppm) was established and therefore the substance is effectively highly toxic to aquatic invertebrates.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Effect concentration:
0.769 mg/L

Marine water invertebrates

Marine water invertebrates
Effect concentration:
0.179 mg/L

Additional information

The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 0.769 mg/l therefore the substance is effectively highly toxic to Daphnid. 

 

Using the EPIWIN ECOSAR QSAR model, a 30-day NOECcited as a ChV (chronic value)for marine water (SW) aquatic invertebrates of 0.179 mg/L (ppm) was established and therefore the substance is effectively highly toxic to aquatic invertebrates.