Introduction:Basic information about CAS 5616-51-3|1,3-Dithiolane,2-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-Dithiolane,2-methyl- |
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| CAS Number | 5616-51-3 | Molecular Weight | 120.23600 |
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| Density | 1.116g/cm3 | Boiling Point | 40ºC/2mmHg |
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| Molecular Formula | C4H8S2 | Melting Point | / |
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| MSDS | USA | Flash Point | 62.4ºC |
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Names
| Name | 2-methyl-1,3-dithiolane |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.116g/cm3 |
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| Boiling Point | 40ºC/2mmHg |
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| Molecular Formula | C4H8S2 |
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| Molecular Weight | 120.23600 |
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| Flash Point | 62.4ºC |
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| Exact Mass | 120.00700 |
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| PSA | 50.60000 |
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| LogP | 1.81240 |
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| Index of Refraction | 1.561 |
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| InChIKey | CARJCVDELAMAEJ-UHFFFAOYSA-N |
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| SMILES | CC1SCCS1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- JP1163000
- CHEMICAL NAME :
- 1,3-Dithiolane, 2-methyl-
- CAS REGISTRY NUMBER :
- 5616-51-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C4-H8-S2
- MOLECULAR WEIGHT :
- 120.24
- WISWESSER LINE NOTATION :
- T5S CSTJ B1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 20/21/22 |
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| Safety Phrases | 23-36/37/39-45 |
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| HS Code | 2934999090 |
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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
| Acetaldehyd-ethylen-di-thioacetal |
| FEMA No. 3705 |
| 2-methyl-1,3-thiolane |
| EINECS 227-038-2 |
| 1,3-dithia-2-methylcyclopentane |
| 1,3-DITHIOLANE,2-METHYL |
| 2-Methyl-1,3-dithiacyclopentane |
| 2-Methyl-1,3-dithiolan |