Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 220-329-5 | CAS number: 2720-73-2
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:
- 100% Potassium amyl xanthate (CAS No. 2720-73-2)
SMILES : S=C(S(K))OCCCCC
CHEM : Carbonodithioic acid, O-pentyl ester, potassium salt
MOL FOR: C6 H11 O1 S2 K1
MOL WT : 202.37
Log Kow: 2.34 (KowWin estimate)
Wat Sol: 655.8 mg/L (WskowWin estimate) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 4.608 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) =4.608 mg/L (ppm)
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Daphnid, 30-day,NOEC cited as ChV (chronic value) = 4.608 mg/L
- Executive summary:
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 4.608 mg/l therefore that the substance is moderately toxic to Daphnid.
- 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:
- 100% Potassium amyl xanthate (CAS No. 2720-73-2)
SMILES : S=C(S(K))OCCCCC
CHEM : Carbonodithioic acid, O-pentyl ester, potassium salt
MOL FOR: C6 H11 O1 S2 K1
MOL WT : 202.37
Log Kow: 2.34 (KowWin estimate)
Wat Sol: 655.8 mg/L (WskowWin estimate) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 3.881 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) = 3.881 mg/L (ppm)
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Mysid Shrimp, 96 -hr, LC50= 49.668 mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) = 3.881 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 3.881 mg/L (ppm) was established.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Referenceopen allclose all
Overview of QSARs estimations on long-term aquatic toxicity of Potassium amyl xanthate to Daphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Daphnid , 48-hr LC50 = 37.658 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 4.608 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 4.608mg/l therefore that the substance is moderately toxic to Daphnid.
Daphnid , 48-hr LC50 = 37.658 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 4.608 mg/L (ppm)
Overview of QSARs estimations on long-term aquatic toxicity of Sodium ethyl xanthate toMysid shrimp
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Mysid Shrimp, 96 -hr, LC50= 49.668 mg/L (ppm) Mysid Shrimp (SW), 30-day, ChV (chronic value) = 3.881 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Mysid Shrimp, 96 -hr, LC50= 49.668 mg/L (ppm)
Mysid Shrimp (SW), 30-day, ChV (chronic value) = 3.881mg/L (ppm)
Description of key information
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 4.608 mg/l therefore that the substance is moderately toxic to Daphnid.
Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC cited as a ChV (chronic value) for marine water (SW) aquatic invertebrates of 3.881 mg/L (ppm) was established.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 4.608 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 3.881 mg/L
Additional information
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 4.608mg/l therefore that the substance is moderately toxic to Daphnid.
Using the EPIWIN ECOSAR QSAR model, a30-day NOECcited as a ChV (chronic value)for marine water (SW) aquatic invertebrates of 3.881 mg/L (ppm)was established.
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.
