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Long-term toxicity to fish

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Endpoint:
fish life cycle toxicity
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
Principles of method if other than guideline:
ECOSAR Program (v1.00)
GLP compliance:
no
Remarks:
not applicable to QSAR models
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
other: Fish 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(=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:
30 d
Dose descriptor:
NOEC
Effect conc.:
0.26 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:
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for fresh water fish of 0.260 mg/l was established.
Fish 30-day ChV = 0.260 mg/L (ppm)
Fish (SW) 30-day ChV = 1.168 mg/L (ppm



Overview of QSARs estimations on long term aquatic toxicity of  S-allyl O-pentyl dithiocarbonate

to fish

Method

 

Results

Remarks

Reference

QSAR

estimate

Fish, 96-hr LC50 =4.573 mg/L (ppm)

Fish, 96-hr (SW) LC50 =6.412 mg/L (ppm)

Fish 30-day ChV =0.260 mg/L (ppm)

Fish (SW) 30-day ChV =1.168mg/L (ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

 

Fish, 96-hr LC50 =4.573mg/L (ppm)

Fish, 96-hr (SW) LC50 =6.412 mg/L (ppm)

Fish 30-day ChV =0.260 mg/L (ppm)

Fish (SW) 30-day ChV =1.168mg/L (ppm)

 

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for fresh water fish of 0.260 mg/l was established.
Fish 30-day ChV =0.260 mg/L (ppm)
Fish (SW) 30-day ChV =1.168mg/L (ppm)



Executive summary:

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.260 mg/l therefore the substance is highly toxic to fishes.

Endpoint:
fish life cycle toxicity
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
Principles of method if other than guideline:
ECOSAR Program (v1.00)
GLP compliance:
no
Remarks:
not applicable to QSAR models
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
other: Fish species
Details on test organisms:
no further information
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(=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:
30 d
Dose descriptor:
NOEC
Effect conc.:
1.168 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:
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for marine water fish of 1.168 mg/l was established.
Fish 30-day ChV =0.260 mg/L (ppm)
Fish (SW) 30-day ChV =1.168 mg/L (ppm)


Overview of QSARs estimations on long term aquatic toxicity of  S-allyl O-pentyl dithiocarbonate

to fish

Method

 

Results

Remarks

Reference

QSAR

estimate

 

Fish, 96-hr LC50 =4.573mg/L (ppm)

Fish, 96-hr (SW) LC50 =6.412mg/L (ppm)

Fish 30-day ChV =0.260mg/L (ppm)

Fish (SW) 30-day ChV =1.168mg/L (ppm)

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

Fish, 96-hr LC50 =4.573mg/L (ppm)

Fish, 96-hr (SW) LC50 =6.412mg/L (ppm)

Fish 30-day ChV =0.260 mg/L (ppm)

Fish (SW) 30-day ChV =1.168 mg/L (ppm)

 

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC , cited as a ChV (chronic value) for marine water fish of 1.168 mg/l was established.
Fish 30-day ChV =0.260 mg/L (ppm)
Fish (SW) 30-day ChV =1.168 mg/L (ppm)




Executive summary:

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish (SW) would to be 1.168 mg/l therefore the substance is moderately toxic to fishes.

Endpoint:
fish early-life stage toxicity
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:
Potassium O-pentyl dithiocarbonate is similar to S-allyl O-pentyl dithiocarbonate . Comparable metabolism would occur.
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 210 (Fish, Early-Life Stage Toxicity Test)
GLP compliance:
yes
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Details on test organisms:
SPECIES #
(NAME): 4 Oncorhynchus mykiss (Rainbow Trout)
AGE: NR NR
LIFE STAGE: fingerling
COMMENT: 6.8 G, 8.8 CM
Test type:
flow-through
Water media type:
freshwater
Limit test:
no
Total exposure duration:
28 d
Hardness:
118 TO 125 mg/L CaCO3
Test temperature:
10 0C
pH:
7.9 to 8.2
Dissolved oxygen:
NR
Salinity:
NR
Nominal and measured concentrations:
TYPE VALUE RANGES STANDARD CONC (ug/L) IONCIC FRACTION
F 1000 NR TO NR 1000 ug/L NR
Details on test conditions:
TEST CONDITIONS
STUDY TYPE:
MEDIA: FW (Fresh water)
LOCATION: LAB (Laboratory, indoor)
CONTROL: I (insufficient control)
EXPOSURE TYPE: F ( flow-through)
APPLICATION FREQ.: NR CON
EXPOSURE DUR.: 28 day(s)
STAND DUR. (D): 28 day(s)
TEST CONCENTRATION
CHEM ANAL. METHOD: unmeasured
UNIT OF MEASURE: ug/L micrograms per liter

TYPE VALUE RANGES STANDARD CONC (ug/L) IONCIC FRACTION
F 1000 NR TO NR 1000 ug/L NR

WATER QUALITY VALUE RANGE (UNIT)
TEMPERATURE: 10 NR TO NR C
pH: NR 7.9 TO 8.2
HARDNESS: NR 118 TO 125 mg/L CaCO3
SALINITY: NR NR TO NR
ALKALINITY: NR NR TO NR mg/L CaCO3
CONDUCTIVITY: NR NR TO NR NR
DISSOLVED OXYGEN: NR NR TO NR mg/l
ORGANIC CARBON (NR): NR NR TO NR NR
Reference substance (positive control):
no
Duration:
28 d
Dose descriptor:
other: LC100
Effect conc.:
1 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: Under flow-through conditions the Potassium amyl xanthate induced 100% mortality in Oncorhynchus mykiss (Rainbow Trout) at 1 mg/l (LC100).
Details on results:
Under flow-through conditions the Potassium amyl xanthate induced 100% mortality in Oncorhynchus mykiss (Rainbow Trout) at 1 mg/l (LC100).

EFFECT RESULTS
EFFECT: Mortality
TREND: NR
RESPONSE SITE:NR
% EFFECT: NR
EFFECT MEASUREMENT: Mortality

ENDPOINT: Lethal concentration to 100% of test organisms
ENDPOINT ASSIGN.: X
SIGNIFICANCE: NA
LEVEL: NA
BCF Value (F): NR ( NR to NR)
Validity criteria fulfilled:
not specified
Conclusions:
Under flow-through conditions the Potassium amyl xanthate induced 100% mortality in Oncorhynchus mykiss (Rainbow Trout) at 1 mg/l (LC100).
Potassium O-pentyl dithiocarbonate is similar to S-allyl O-pentyl dithiocarbonate . Comparable metabolism would occur.
Endpoint:
fish short-term toxicity test on embryo and sac-fry stages
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.Comparable metabolism would occur.
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 212 (Fish, Short-term Toxicity Test on Embryo and Sac-Fry Stages)
Deviations:
no
Remarks:
The test was carried out for maximally 10 days in closed vessels, with renewal of test solution every 2-3 days. The actual concentration was not measured. The test did not follow a particular guideline (not available at the time the study was performed),
Principles of method if other than guideline:
Eggs from Danio rerio were introduced in the test solutions. Incubation started within 4 hours after spawning. Daily observations were made on survival of eggs and larvae, hatching and malformations. The test was semi-static with renewal after 2 - 3 days in closed containers.
GLP compliance:
yes
Analytical monitoring:
no
Vehicle:
yes
Details on test solutions:
Vehicle was methanol or DMSO, < 0.1 mg/L test solution
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Details on test organisms:
Obtained from a local aquarium retailer
SPECIES #
(NAME): 5156 Danio rerio
(Zebra Danio)
AGE: NA gts
LIFE STAGE: egg(s)
Test type:
semi-static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
8 d
Hardness:
13 dH

Test temperature:
25 +/- 2 °C
pH:
8.2
Dissolved oxygen:
100 % Sat
Nominal and measured concentrations:
Nominal concentrations: 0.024, 0.076, 0.243 and 0.778 mg/L and 1, 2.5 and 6.25 mg/L.
Details on test conditions:
Test containers were glass tubes with teflon-tapered screw caps.
TEST CONDITIONS
STUDY TYPE:
MEDIA: FW (Fresh water)
LOCATION: LAB (Laboratory, indoor)
CONTROL: V (Carrier or solvent )
EXPOSURE TYPE: R ( semi -static)
APPLICATION FREQ.: 2-3 E X D(2-3 times every day)
EXPOSURE DUR.: 8 day(s)
STAND DUR. (D): 8 day(s)
TEST CONCENTRATION
CHEM ANAL. METHOD: unmeasured
UNIT OF MEASURE: ug/L micrograms per liter

TYPE VALUE RANGES STANDARD CONC (ug/L) IONCIC FRACTION
F 2500 NR TO NR 2500 ug/L NR

WATER QUALITY VALUE RANGE (UNIT)
TEMPERATURE: 25 NR TO NR C
pH: 8.2 NR TO NR
HARDNESS: 13 NR TO NR dH
SALINITY: NR NR TO NR
ALKALINITY: NR NR TO NR mg/L CaCO3
CONDUCTIVITY: NR NR TO NR NR
DISSOLVED OXYGEN: 100 NR TO NR % Sat
ORGANIC CARBON (NR): NR NR TO NR NR
Reference substance (positive control):
not specified
Duration:
8 d
Dose descriptor:
NOEC
Effect conc.:
2.5 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
mortality
Duration:
8 d
Dose descriptor:
NOEC
Effect conc.:
1 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
number hatched
Duration:
8 d
Dose descriptor:
NOEC
Effect conc.:
2.5 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
other: malformations
Duration:
8 d
Dose descriptor:
NOEC
Effect conc.:
6.71 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: On a molecular weight scaled basis, the NOEC for S-allyl O-pentyl dithiocarbonat would be 6.71 mg/l. (2.5 x 204.35) /76.13 =6.71 mg/l
Duration:
8 d
Dose descriptor:
NOEC
Effect conc.:
2.26 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
number hatched
Details on results:
Specific malformations were observed in the development of the notochord 2 days after fertilisation. The notochords were abnormally stretched and were twisted and distorted. Malformations in the muscle tissue and organ dislocations were also observed. Other sublethal effects: oedemous bodies, failure to hatch or to shed the eggshell, lumpy skin, incomplete fins.

Effect of CS2on hatching of eggs and survival of larvae of Danio rerio

Nominal

concentration

[mg/L]

0 d

1 d

3 d

4 d

5 d

6 d

8 d

Eggs

Eggs

Eggs

Larvae

Eggs

Larvae

Eggs

Larvae

Eggs

Larvae

Eggs

Larvae

Control

30

28

25

3

6

22

0

28

0

28

0

28

1

30

29

8

21

0

29

0

29

0

29

0

29

2.5

30

29

28

1

27

3

20

9

13

16

0

29

6.25

30

28

27

1

26

2

26

2

24

6

6

10

 

Validity criteria fulfilled:
yes
Conclusions:
The S-allyl O-pentyl dithiocarbonat (CAS No. 2956-12-9), the subject of this dossier) is expected to exhibit very similar toxicity to Carbon disulphide (CS2, (CAS No. 75-15-0)), Comparable metabolism would occur.
On a molecular weight scaled basis, the NOEC for S-allyl O-pentyl dithiocarbonat would be 6.71 mg/l. (2.5 x 204.35) /76.13 =6.71 mg/l
Executive summary:

The effect of CS2 was studied in an Early Life Stage test with Danio rerio (zebra fish). The test resembled the OECD 212 test, but was carried out in sealed vessels for 8 days to prevent the escape of volatile CS2.

The S-allyl O-pentyl dithiocarbonat (CAS No. 2956-12-9), the subject of this dossier) is expected to exhibit very similar toxicity to Carbon disulphide (CS2, (CAS No. 75-15-0)),  Comparable metabolism would occur.

On a molecular weight scaled basis, the NOEC for S-allyl O-pentyl dithiocarbonat  would be 6.71 mg/l.  (2.5 x 204.35) /76.13 =6.71 mg/l

Description of key information

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for fresh water fish would to be 0.260 mg/l therefore the substance is highly toxic to fishes.

The ECOSAR QSAR model predicts that NOEC, cited as a ChV (chronic value) for marine water fish (SW) would to be 1.168 mg/l therefore the substance is moderately toxic to fishes.

Key value for chemical safety assessment

EC10, LC10 or NOEC for freshwater fish:
0.26 mg/L
EC10, LC10 or NOEC for marine water fish:
1.168 mg/L

Additional information