S-allyl O-pentyl dithiocarbonate

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Reference 1

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

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.

Reference 2

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

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  

Reference 3

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

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