S-allyl O-pentyl dithiocarbonate

Toxicity to terrestrial plants

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

toxicity to terrestrial plants: long-term

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 4.1/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable. QSAR model

Analytical monitoring:

not required

Vehicle:

no

Species:

other: Terrestrial plants,QSAR model

Plant group:

other: QSAR model

Details on test organisms:

no further information

Test type:

other: QSAR

Study type:

other: QSAR

Substrate type:

other: QSAR

Limit test:

no

Total exposure duration:

30 d

Test temperature:

not applicable. QSAR model

pH:

not applicable. QSAR model

Moisture:

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

Species:

other: Terrestrial plants,QSAR model

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

8.534 mg/kg soil dw

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

not specified

Remarks on result:

other: 1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Species:

other: Terrestrial plants,QSAR model

Duration:

30 d

Dose descriptor:

NOEC

Effect conc.:

2.937 mg/kg soil dw

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

not specified

Remarks on result:

other: cited as a ChV value, 1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Details on results:

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 2.937 mg/L (ppm) for terrestrial plants.
The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 8.534 mg/L (ppm) for terrestrial plants.
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Overview of QSARs estimations ontoxicity of S-allyl O-pentyl dithiocarbonate

to terrestrial plants 

Method	Results	Remarks	Reference
QSAR estimate	Terrestrial plants ,96-hrEC50 = 8.534 mg/L (ppm)  Terrestrial plants, 30-day, ChV (chronic value) =2.937 mg/L(ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

 

  

Terrestrial plants ,96-hrEC50 = 8.534 mg/L (ppm)

 Terrestrial plants, 30-day, ChV (chronic value) =2.937 mg/L(ppm)

1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 2.937 mg/L (ppm) for terrestrial plants.
The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 8.534 mg/L (ppm) for terrestrial plants.
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Executive summary:

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 2.937 mg/L (ppm) for terrestrial plants.

The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 8.534 mg/L (ppm) for terrestrial plants.

1 kg of water has a volume of 1 L and the mg/kg and mg/L are  the same.

Reference 2

Endpoint:

toxicity to terrestrial plants: short-term

Type of information:

other: published data

Adequacy of study:

supporting study

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:

no guideline followed

Principles of method if other than guideline:

Corn, wheat and cotton seeds were fumigated with different concentrations of CS2 for a period of 24 hours. Thereafter the seeds were germinated and germination counts were made at day 5 (when possible) and day 8.

GLP compliance:

not specified

Analytical monitoring:

no

Vehicle:

not specified

Species:

Zea mays

Plant group:

Monocotyledonae (monocots)

Details on test organisms:

Varieties: Early American; Hybrid 17; Hybrid 186

Species:

Triticum aestivum

Plant group:

Monocotyledonae (monocots)

Details on test organisms:

Variety: Giza 155

Species:

other: Gossypium hirsutum (cotton)

Plant group:

Dicotyledonae (dicots)

Details on test organisms:

Variety: Giza 66 and 68

Test type:

seedling emergence toxicity test

Study type:

laboratory study

Substrate type:

not specified

Limit test:

no

Total exposure duration:

24 h

Post exposure observation period:

5-7 days germination

Test temperature:

Not reported

pH:

Not reported

Moisture:

9-15%

Details on test conditions:

Corn and wheat seeds were conditioned at 9%, 12% and 15% moisture content, while cotton seeds were tested at their normal moisture content (10%). The authors did not give details on the germination conditions, but these are not considered to be essential.

Nominal and measured concentrations:

200, 300 and 400 mL/m3 air (nominal).

Reference substance (positive control):

no

Details on results:

All seeds fumigated at 200 mL/m3 had germination percentages > 90%, except for wheat conditioned at 15% moisture, which germinated for 72%. At 300 and 400 mL/m3 the percentage of germination in some seed varieties was decreased, depending on the moisture conditions (see the table below).

Species and variety	Moisture content (%)	Dose of CS2
		200 mL/m^3	300 mL/m^3	400 mL/m^3
Corn, Early American	9	96	95	91
	12	93	99	96
	15	96	93	68
Corn, Hybrid 17	9	95	96	51
	12	95	96	66
	15	94	92	30
Corn, Hybrid 186	9	98	98	93
	12	92	93	93
	15	96	79	66
Wheat, Giza155	9	90	91	90
	12	93	89	72
	15	72	59	35
Cotton, Giza 66	10	93	90	91
Cotton, Giza 68	10	93	95	90

Validity criteria fulfilled:

not specified

Conclusions:

Germination of cotton seeds was not sensitive for fumigation with CS2 up to and including 400 mL/m3. The germination of one variety of corn was inhibited at 300 mL/m3 at 15% moisture content (79% germination). At 400 mL/m3 germination was inhibited (30 - 72% germination) in all hybrids at one or more moisture contents. The germination of wheat was inhibited at 200, 300 and 400 mL/m3 at 15% moisture content (72%, 59% and 35% germination, respectively). Germination of wheat was also inhibited at 400 mL/m3 at 12% moisture content (72% germination).

Executive summary:

Seeds of corn, wheat and cotton were fumigated with 200 - 400 mL CS2/m3. The test was carried out with different varieties and different seed moisture contents. Germination of cotton seeds was not sensitive for fumigation with CS2 up to and including 400 mL/m3. The germination of one variety of corn was inhibited at 300 mL/m3 at 15% moisture content (79% germination). At 400 mL/m3 germination was inhibited (30 - 72% germination) in all hybrids at one or more moisture contents. The germination of wheat was inhibited at 200, 300 and 400 mL/m3 at 15% moisture content (72%, 59% and 35% germination, respectively). Germination of wheat was also inhibited at 400 mL/m3 at 12% moisture content (72% germination).

Reference 3

Endpoint:

toxicity to terrestrial plants: short-term

Type of information:

other: published data

Adequacy of study:

supporting study

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:

no guideline followed

Principles of method if other than guideline:

Seedlings of bush bean (Phaseolus vulgaris) were exposed to CS2 gas for 6 h at a range of concentrations in open gas exchange systems and the whole-plant net photosynthesis and transpiration were monitored. Plants were also assessed for foliar necrosis.

GLP compliance:

no

Analytical monitoring:

yes

Details on sampling:

Air was sampled at each chamber inlet and outlet port. The concentrations of CO2 and H2O were monitored in the air at each inlet and outlet port. CS2 was sampled at the outlet port only.

Vehicle:

no

Species:

Phaseolus vulgaris

Plant group:

Dicotyledonae (dicots)

Details on test organisms:

5-7 weeks old plants in pots before the pod-fill stage were used in the test.

Test type:

other: Exposure in open gas exchange chambers

Study type:

extended laboratory study

Substrate type:

not specified

Limit test:

no

Total exposure duration:

6 h

Test temperature:

28-31 °C

pH:

Not reported

Moisture:

Relative humidity 0.8 - 1.3 μmol/m3

Details on test conditions:

Exposure was conducted in open gas exchange chambers that operated under negative pressure. The chambers were cylindrical (0.92 m3) and lined with Teflon film. Lighting was provided by 1000 W lamps. The chambers were placed in a greenhouse.
Five plants were transferred to the chambers approx. 1 day before exposure. The next day they were exposed for 6 h to CS2. Photoperiod: 15 h light, 9 h dark.
Measurements of photosynthesis and transpiration were carried out for 6 h. Foliar necrosis was assessed 3 days after exposure.

Nominal and measured concentrations:

6 - 82 μmol CS2/m3 air (measured)

Reference substance (positive control):

no

Species:

Phaseolus vulgaris

Duration:

6 h

Dose descriptor:

NOEC

Effect conc.:

>= 82 other: μmol CS2/m3 air

Nominal / measured:

meas. (not specified)

Conc. based on:

act. ingr.

Basis for effect:

other: Photosynthesis, transpiration, leaf necrosis

Species:

Phaseolus vulgaris

Duration:

6 h

Dose descriptor:

NOEC

Effect conc.:

>= 6.2 other: mg/m3

Nominal / measured:

meas. (not specified)

Conc. based on:

act. ingr.

Basis for effect:

other: Photosynthesis, transpiration, leaf necrosis

Species:

Phaseolus vulgaris

Duration:

6 h

Dose descriptor:

NOEC

Effect conc.:

>= 16.64 other: mg/m3

Nominal / measured:

meas. (not specified)

Conc. based on:

test mat.

Remarks:

S-allyl O-pentyl dithiocarbonate.

Basis for effect:

other: Photosynthesis, transpiration, leaf necrosis

Remarks on result:

other: On a molecular weight scaled basis, the NOEC would be 16.64 mg/m3. (6.2 x 204.35) /76.13 =16.64 mg/m3

Details on results:

Net photosynthesis was 100% over the range 6-82 µmol CS2/m3, therefore CS2 gas had no influence on plant photosynthesis. Moreover, there were no effects on plant transpiration and no necrotical leaf damage.

Validity criteria fulfilled:

not specified

Conclusions:

CS2 gas does not affect the photosynthesis and transpiration of bush bean plants in concentrations up to and including 82 µmol/m3 in air upon exposure for 6 h. Moreover, no foliar necrosis was observed at this concentration.

Executive summary:

An exposure experiment was conducted with bush bean plants (Phaseolus vulgaris) in open gas exchange chambers. Plants were transferred to the chambers approx. 1 day before exposure. The next day they were exposed for 6 h. Measurements of photosynthesis and transpiration were carried out during 6 h. Foliar necrosis was assessed 3 days after exposure. CS2 gas does not affect the photosynthesis and transpiration of bush bean plants in concentrations up to and including 82 µmol/m3 in air upon exposure for 6 h. Moreover, 3 days after exposure no foliar necrosis was observed at this concentration. The NOEC was ≥ 82 µmol/m3 air (6.2 mg/m3).

Reference 4

Endpoint:

toxicity to terrestrial plants: long-term

Data waiving:

exposure considerations

Justification for data waiving:

the study does not need to be conducted because direct and indirect exposure of the soil compartment is unlikely

Description of key information

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 2.937 mg/L (ppm) for terrestrial plants.

The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 8.534 mg/L (ppm) for terrestrial plants.

Key value for chemical safety assessment

Short-term EC50 or LC50 for terrestrial plants:

8.534 mg/kg soil dw

Long-term EC10, LC10 or NOEC for terrestrial plants:

2.937 mg/kg soil dw