1-Thiacyclohexan-4-one
Tetrahydrothiopyran-4-one
CAS: 1072-72-6
Molecular Formula: C5H8OS
1-Thiacyclohexan-4-one - Names and Identifiers
| Name | Tetrahydrothiopyran-4-one |
| Synonyms | Penthianone 4-Thiacyclohexanone 1-Thiacyclohexan-4-one 4-Oxotetrahydrothiopyran Tetrahydrothiopyran-4-one Tetrahydro-1,4-thiapyrone Tetrahydro-1-thio-4-pyrone 4H-tetrahydrothiopyran-4-one Tetrahydro-4H-thiopyran-4-one Tetrahydro-1-thio-gamma-pyrone 2,3,5,6-Tetrahydro-4-thiopyranone |
| CAS | 1072-72-6 |
| EINECS | 214-015-7 |
| InChI | InChI=1/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2 |
| InChIKey | OVRJVKCZJCNSOW-UHFFFAOYSA-N |
1-Thiacyclohexan-4-one - Physico-chemical Properties
| Molecular Formula | C5H8OS |
| Molar Mass | 116.18 |
| Density | 1.050 (estimate) |
| Melting Point | 60-64 °C (lit.) |
| Boling Point | 140.82°C (estimate) |
| Flash Point | 105.5°C |
| Solubility | Acetonitrile (Slightly), Chloroform (Slightly) |
| Vapor Presure | 0.124mmHg at 25°C |
| Appearance | White to white-like crystals |
| Color | White to pale yellow |
| BRN | 106464 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5100 (estimate) |
| MDL | MFCD00006660 |
| Use | Used in various condensation reactions to prepare dipeptide, spiroimidazolinone, tetrahydrocarbazole and α-hydroxy ester. |
1-Thiacyclohexan-4-one - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Hazard Class | IRRITANT |
1-Thiacyclohexan-4-one - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Uses | Used in various condensation reactions to prepare dipeptide, spiroimidazolinone, tetrahydrocarbazole and α-hydroxy ester. |
Last Update：2024-04-09 15:16:47
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