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EC number: 220-977-9 | CAS number: 2956-12-9
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- 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 4.0/ECOSARv1.00
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: Daphnid 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.:
- 3.846 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:
- Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) =3.846 mg/L (ppm)
- Reported statistics and error estimates:
- The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 3.846 mg/l therefore that the substance is effectively highly toxic to Daphnid.
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Daphnid, 30-day,NOEC cited as ChV (chronic value) = 3.846 mg/L
- Executive summary:
The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 3.846 mg/l therefore that the substance is moderately toxic to Daphnid.
Daphnid , 48-hr LC50 =8.244mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) =3.846 mg/L (ppm)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- 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 4.0/ECOSARv1.00
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Mysid shrimp
- Details on test organisms:
- Scientific name: Americamysis bahia
Common name: Opossum shrimp, Mysid shrimp, Mysids - 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.:
- 16.053 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:
- Mysid Shrimp (SaltWater), 30-day,NOEC cited as ChV (chronic value) = 16.053 mg/L (ppm)
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Mysid Shrimp, 96 -hr, LC50= 3.276 mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) = 16.053 mg/L (ppm) - Executive summary:
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC cited as a ChV (chronic value) for marine water (SW) aquatic invertebrates of 16.053 mg/L (ppm) was established.
Referenceopen allclose all
Overview of QSARs estimations on long-term aquatic toxicity of
S-allyl O-pentyl dithiocarbonate
to Daphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Daphnid , 48-hr LC50 = 8.244 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) =3.846 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 3.846 mg/l therefore that the substance is moderately toxic to Daphnid.
Daphnid , 48-hr LC50 =8.244 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) =3.846 mg/L (ppm)
Overview of QSARs estimations on long-term aquatic toxicity of S-allyl O-pentyl dithiocarbonate
to Mysid shrimp
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Mysid Shrimp, 96 -hr, LC50= 3.276 mg/L (ppm) Mysid Shrimp (SW), 30-day, ChV (chronic value) = 16.053 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Mysid Shrimp, 96 -hr, LC50= 3.276 mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) = 16.053 mg/L (ppm)
Description of key information
The ECOSAR QSAR model predicts that 30-day NOECcited as a ChV (chronic value) for fresh water species would to be 3.846 mg/l therefore that the substance is moderately toxic to Daphnid.
Using the EPIWIN ECOSAR QSAR model, a 30-day NOECcited as a ChV (chronic value) for marine water (SW) aquatic invertebrates of 16.053 mg/L (ppm)was established.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 3.846 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 16.053 mg/L
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
