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Ecotoxicological information

Toxicity to aquatic plants other than algae

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Link to relevant study record(s)

Reference
Endpoint:
toxicity to aquatic plants other than algae
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 organic chemicals properties assessment.
Qualifier:
according to
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:
no
Vehicle:
no
Test organisms (species):
other: QSAR model
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(=S)SCC=C)CCCCC
CHEM : Carbonic acid, dithio-, S-allyl O-pentyl ester
CAS Num: 2956-12-9
MOL FOR: C9 H16 O1 S2
MOL WT : 204.35
Log Kow: 3.329 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 59.63 (mg/L, EPISuite WSKowwin v1.43 Estimate)



Reference substance (positive control):
no
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
2.842 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
other: (Q)SAR prediction
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
1.122 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
other: (Q)SAR prediction
Details on results:
A 96 h LC50 value of 2.842 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.
The data show the substances S-allyl O-pentyl dithiocarbonate to be acutely toxic at concentrations of between 1.122-2.842 mg/L.
This result signifies that the test substance is expected to be moderately toxic.

A NOEC value of 1.122 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.
This result signifies that the test substance is expected to be moderately toxic.
.

Overview of QSARs estimations onaquatic toxicity of S-allyl O-pentyl dithiocarbonate

to algae and aquatic plants

 

Method

 

Results

Remarks

Reference

QSAR

estimate

Green Algae, 96-hr EC50 =2.842 mg/L (ppm)

Green Algae, 30-day, NOEC cited as a ChV value = 1.122 mg/L(ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

 

Green Algae, 96-hr EC50 =2.842 mg/L (ppm)

Green Algae, 30-day, NOEC cited as a ChV value =1.122 mg/L(ppm)

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for organic chemicals properties assessment.
Conclusions:
A 96 h LC50 value of 2.842 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.
The data show the substances S-allyl O-pentyl dithiocarbonate to be acutely toxic at concentrations of between 1.122-2.842 mg/L.
This result signifies that the test substance is expected to be moderately toxic.

A NOEC value of 1.122 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.
This result signifies that the test substance is expected to be moderately toxic.
.
Executive summary:

A 96 h LC50 value of 2.842 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.

The data show the substances S-allyl O-pentyl dithiocarbonate to be acutely toxic at concentrations of between 1.122-2.842 mg/L.

This result signifies that the test substance is  expected to be moderately toxic.

A NOEC value of 1.122 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.

This result signifies that the test substance is  expected to be moderately toxic.

.

Description of key information

A 96 h LC50 value of 2.842 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.

The data show the substances S-allyl O-pentyl dithiocarbonate to be acutely toxic at concentrations of between 1.122-2.842 mg/L.

This result signifies that the test substance is  expected to be moderately toxic.

A NOEC value of 1.122 mg/L has been calculated for the effects of the test substance on the mortality of the Algae group.

This result signifies that the test substance is  expected to be moderately toxic.

Key value for chemical safety assessment

EC50 for freshwater plants:
2.842 mg/L
EC10 or NOEC for freshwater plants:
1.122 mg/L

Additional information