Introduction:Basic information about CAS 4426-51-1|1,3,2-Dioxathiane,4-methyl-, 2-oxide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3,2-Dioxathiane,4-methyl-, 2-oxide |
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| CAS Number | 4426-51-1 | Molecular Weight | 136.17000 |
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| Density | 1.36 g/cm3 | Boiling Point | 185ºC at 760 mmHg |
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| Molecular Formula | C4H8O3S | Melting Point | 5℃ |
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| MSDS | / | Flash Point | 69.3ºC |
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Names
| Name | 4-methyl-1,3,2-dioxathiane 2-oxide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.36 g/cm3 |
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| Boiling Point | 185ºC at 760 mmHg |
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| Melting Point | 5℃ |
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| Molecular Formula | C4H8O3S |
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| Molecular Weight | 136.17000 |
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| Flash Point | 69.3ºC |
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| Exact Mass | 136.01900 |
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| PSA | 54.74000 |
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| LogP | 1.25620 |
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| Appearance of Characters | liquid |
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| Index of Refraction | 1.529 |
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| InChIKey | WGMZCGUVEQNCCE-UHFFFAOYSA-N |
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| SMILES | CC1CCOS(=O)O1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EK1225000
- CHEMICAL NAME :
- 1,3-Butanediol, cyclic sulfite
- CAS REGISTRY NUMBER :
- 4426-51-1
- BEILSTEIN REFERENCE NO. :
- 1237514
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C4-H8-O3-S
- MOLECULAR WEIGHT :
- 136.18
- WISWESSER LINE NOTATION :
- T6OSOTJ BO D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 780 mg/kg/13D-I
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - hematuria Blood - changes in bone marrow (not otherwise specified)
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 560 mg/kg/14D-I
- TOXIC EFFECTS :
- Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea Blood - changes in bone marrow (not otherwise specified)
- REFERENCE :
- NCISS* Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory. Volume(issue)/page/year: -,57,1964
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4-methyltrimethylene sulphite |
| 1,3-Butylene sulphite |
| cis-4-methyl-r-2-oxo-1,3,2-dioxathiane |
| 4-Methyltrimethylene sulfite |
| EINECS 224-608-2 |
| 1,3-butylene glycol sulfite |
| 4-methyl-2-oxo-1,3,2-dioxathiane |
| trans-4-methyl-r-2-oxo-1,3,2-dioxathiane |
| FDA 0477 |