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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 246-805-2 | CAS number: 25306-75-6
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% sodium O-isobutyl dithiocarbonate
SMILES : O(C(CC)C)C(S([Na]))=S
CHEM : Carbonodithioic acid, o-(2-methylpropyl) ester, sodium salt
CAS Num: 25306-75-6
MOL FOR: C5 H9 O1 S2 Na1
MOL WT : 172.24
Log Kow: 1.78 (used)
Wat Sol: 663 mg/L (measured) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 12.669 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) =12.669 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) = 12.669mg/L
- Executive summary:
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 12.669 mg/l therefore that the substance is effectively not 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% sodium O-isobutyl dithiocarbonate
SMILES : O(C(CC)C)C(S([Na]))=S
CHEM : Carbonodithioic acid, o-(2-methylpropyl) ester, sodium salt
CAS Num: 25306-75-6
MOL FOR: C5 H9 O1 S2 Na1
MOL WT : 172.24
Log Kow: 1.78 (used)
Wat Sol: 663 mg/L (measured) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 22.314 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) = 22.314 mg/L (ppm)
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- Mysid Shrimp (SaltWater), 30-day,NOEC cited as ChV (chronic value) = 22.314 mg/L (ppm)
Mysid Shrimp, 96 -hr, LC50= 241.858 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 22.314 mg/L (ppm) was established.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- 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:
- 2-methylpropan-1-ol /Isobutyl alcohol/ is both reagents used in the manufacture of sodium O-isobutyl dithiocarbonate . Therefore, 2-methylpropan-1-ol /Isobutyl alcohol/ need to be considered in the assessment of Reaction mass of sodium O-isobutyl dithiocarbonate
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Method: The test was conducted in line with the provisional procedure proposed by the Federal Environmental Agency (Umweltbundesamt, 1 Jan 1984).
- GLP compliance:
- no
- Analytical monitoring:
- not specified
- Vehicle:
- no
- Test organisms (species):
- Daphnia magna
- Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 21 d
- Hardness:
- NR
- Test temperature:
- 25 0C
- pH:
- > 7
- Dissolved oxygen:
- NR
- Salinity:
- NR
- Nominal and measured concentrations:
- Test concentrations: 10-1250 mg/l
- Details on test conditions:
- - beakers covered with glasses
- Reference substance (positive control):
- no
- Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 20 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Details on results:
- A 21d NOEC of 20 mg/L has been determined for the effects of the test substance (Isobutyl Alcohol ) on reproduction of the Daphnia magna.
Isobutyl Alcohol is both reagents used in the manufacture, as well as decomposition products of xanthates. - Validity criteria fulfilled:
- yes
- Conclusions:
- A 21d NOEC of 20 mg/L has been determined for the effects of the test substance (Isobutyl Alcohol ) on reproduction of the Daphnia magna.
Isobutyl Alcohol is both reagents used in the manufacture, as well as decomposition products of xanthates.
Referenceopen allclose all
Overview of QSARs estimations on long-term aquatic toxicity of SIBX toDaphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Daphnid , 48-hr LC50 =113.257 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) =12.669 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
The ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 12.669 mg/l therefore that the substance is effectively not toxic to Daphnid.
Daphnid , 48-hr LC50 =113.257 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) =12.669 mg/L (ppm
Overview of QSARs estimations on long-term aquatic toxicity of SIBX to Daphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Mysid Shrimp, 96 -hr, LC50= 241.858 mg/L (ppm) Mysid Shrimp (SW), 30-day, ChV (chronic value) = 22.314 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Mysid Shrimp (SaltWater), 30-day, NOEC cited as ChV (chronic value) = 22.314 mg/L (ppm)
Mysid Shrimp, 96 -hr, LC50= 241.858 mg/L (ppm)
Description of key information
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 12.669 mg/l therefore that the substance is effectively not 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 22.314 mg/L (ppm) was established.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 12.669 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 22.314 mg/L
Additional information
ECOSAR QSAR model predicts that NOEC for fresh water species cited as ChV (chronic value) would to be 12.669 mg/l therefore that the substance is effectively not 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 22.314 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.
