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Toxicity to aquatic algae and cyanobacteria

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Endpoint:
toxicity to aquatic algae and cyanobacteria
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:
other: QSAR model
Principles of method if other than guideline:
ECOSAR Program(v1.00)
GLP compliance:
no
Analytical monitoring:
no
Vehicle:
no
Test organisms (species):
other: QSAR model
Details on test organisms:
not applicable. QSAR model
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
30 d
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(=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:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
1.122 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
other: NOEC cited as a ChV value
Details on results:
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)

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

Green algae

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:
method for chemicals properties assessment.
Conclusions:
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)
Executive summary:

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1.122 mg/L (ppm) Green Algae.

The ECOSAR QSAR model predicts that 96-hr EC50 value would to be 2.842 mg/L (ppm) for Green Algae.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
other: published data
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Justification for type of information:
Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.
Qualifier:
according to
Guideline:
OECD Guideline 201 (Alga, Growth Inhibition Test)
GLP compliance:
yes
Analytical monitoring:
not specified
Vehicle:
no
Test organisms (species):
Chlorella pyrenoidosa
Details on test organisms:
SPECIES #
(NAME): 426 Chlorella pyrenoidosa (Green Algae)
AGE: NR NR
LIFE STAGE: not reported, unknown
COMMENT: 10E+8 CELLS/100 ML
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Hardness:
90 mg CaCO3/L
Test temperature:
20 ± 1 °C
pH:
8.7 ± 0.2
Dissolved oxygen:
NR
Salinity:
NR
Details on test conditions:
The test was carried out in sealed flasks to prevent evaporation of CS2.
The medium contained major salts, urea, Ca-glycerophosphate, dextrose and trace elements. The complete composition of the test medium is given in Van Leeuwen and Maas, Environ. Pollution A37: 105-115 (1985).
The starting density of the cells was 1E5 cells/mL. The volume of test medium was 100 mL per flask. The medium was shaken under fluorescent light (7.5 W/m2).
Reference substance (positive control):
no
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
21 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
56.37 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l
Details on results:
Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate
On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l
Reported statistics and error estimates:
no data
Validity criteria fulfilled:
yes
Conclusions:
The 96-h EC50 of CS2 for the alga Chlorella pyrenoidosa in sealed flasks was 21 mg/L, based on the inhibition of growth rate.
Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate
On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l
Executive summary:

Carbon disulphide (CAS number 75–15–0)  is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate

On a molecular weight scaled basis, the EC50 would be 56.37 mg/l.  (21 x 204.35) /76.13 =56.37 mg/l  

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
other: published data
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Justification for type of information:
Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.

Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 201 (Alga, Growth Inhibition Test)
Principles of method if other than guideline:
cell growth inhibition test
GLP compliance:
no
Analytical monitoring:
no
Vehicle:
no
Test organisms (species):
Scenedesmus quadricauda
Details on test organisms:
BREEDING OF TEST ORGANISMS
- species: Scenedesmus quadricauda
- 100 ml Erlenmeyer flask with 20 ml nutrient solution
- relative humidity 50 %
- renewal of preparatory culture every 10 days
- temperature 27 °C
- illuminated permanent and protected against daylight
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
8 d
Test temperature:
27 deg C
pH:
pH: adjusted to pH 7
Details on test conditions:
TEST PROCEDURE
- test vessels: Kabsenberg test tubes
- test volume: 10 ml
- pH: adjusted to pH 7
- daily shaken
- temperature: 27 °C
- cell culture: 5 ml algae suspension per test flask (turbidity 20 formazine nephelometric units)
- number of replicates: 3
- measurement of extinction: Hg 578 nm
- test criterion: cell multiplication inhibition (calculated by measuring the extinction)
Reference substance (positive control):
no
Duration:
8 d
Dose descriptor:
EC5
Effect conc.:
260 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: cell multiplication inhibition (calculated by measuring the extinction)
Duration:
8 d
Dose descriptor:
other: TTC (toxic threshold concentration) = TGK (Toxische Grenzkonzentration) which is comparable with EC5
Effect conc.:
260 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Details on results:
A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .
Validity criteria fulfilled:
yes
Conclusions:
A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .
Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.

Executive summary:

A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .

Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore,pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.

 

Description of key information

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1.122 mg/L (ppm) Green Algae.

The ECOSAR QSAR model predicts that 96-hr EC50 value would to be 2.842 mg/L (ppm) for Green Algae.

Key value for chemical safety assessment

EC50 for freshwater algae:
2.842 mg/L
EC50 for marine water algae:
0.284 mg/L
EC10 or NOEC for freshwater algae:
1.122 mg/L
EC10 or NOEC for marine water algae:
0.112 mg/L

Additional information