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| CAS No.: | 1072-72-6 |
|---|---|
| Name: | Tetrahydrothiopyran-4-one |
| Article Data: | 30 |
| Molecular Structure: | |
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|
| Formula: | C5H8OS |
| Molecular Weight: | 116.184 |
| Synonyms: | 4H-Thiopyran-4-one,tetrahydro-;1-Thiacyclohexan-4-one;2,3,5,6-Tetrahydro-4-thiopyranone;4-Oxotetrahydrothiopyran;4-Oxothiane;4-Thiacyclohexan-1-one;4-Thiacyclohexanone;4-Thianone;NSC 41599;Penthianone;Tetrahydro-1-thio-4-pyrone;Tetrahydro-1-thio-g-pyrone;Tetrahydro-4-thiopyrone;Tetrahydrothiapyran-4-one;Tetrahydro-4H-thiopyran-4-one; |
| EINECS: | 214-015-7 |
| Density: | 1.134 g/cm3 |
| Melting Point: | 60-64 °C(lit.) |
| Boiling Point: | 218.7 °C at 760 mmHg |
| Flash Point: | 105.5 °C |
| Appearance: | White to pale yellow crystalline solid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 42.37000 |
| LogP: | 1.08250 |
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Chemistry
Empirical Formula: C5H8OS
Molecular Weight: 116.1814
Index of Refraction: 1.524
Molar Refractivity: 31.35 cm3
Molar Volume: 102.4 cm3
Surface Tension: 40.3 dyne/cm
Density: 1.134 g/cm3
Flash Point: 105.5 °C
Melting point: 60-64 °C(lit.)
Enthalpy of Vaporization: 45.51 kJ/mol
Boiling Point: 218.7 °C at 760 mmHg
Vapour Pressure: 0.124 mmHg at 25 °C
Appearance: White to pale yellow crystalline solid
Structure of Tetrahydro-4H-thiopyran-4-one (CAS NO.1072-72-6):
IUPAC Name: Thian-4-one
Canonical SMILES: C1CSCCC1=O
InChI: InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N
Product Category of Tetrahydro-4H-thiopyran-4-one (CAS NO.1072-72-6): Ring Systems;Heterocyclic Building Blocks;S-Containing
Toxicity Data With Reference
Tetrahydro-4H-thiopyran-4-one (CAS NO.1072-72-6) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes of Tetrahydro-4H-thiopyran-4-one (CAS NO.1072-72-6): 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
Specification
Tetrahydro-4H-thiopyran-4-one , its cas register number is 1072-72-6. It also can be called Tetrahydrothiopyran-4-one ; and 4-Thiacyclohexanone . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Tetrahydro-4H-thiopyran-4-one (CAS NO.1072-72-6) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong oxidizing agents, strong reducing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, oxides of sulfur, carbon dioxide.