4-thiacyclohexanone
4H-thiopyran-4-one, tetrahydro- (8CI)(9CI)
Identification
| Name | 4-thiacyclohexanone |
| IUPAC | thian-4-one |
| CAS Number | 1072-72-6 |
| EINECS | 214-015-7 |
| FDA UNII | 667X5M356L |
| Molecular Formula | C5 H8 O S |
| Molecular Weight | 116.18296000 |
| MDL Number | MFCD00006660 |
| Nikkaji Number | J113.728J |
| Beilstein | 0106464 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 60.00 to 64.00 °C. @ 760.00 mm Hg |
| Boiling Point | 218.00 to 219.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.124000 mmHg @ 25.00 °C. (est) |
| Flash Point | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w) | 0.490 (est) |
| Soluble in | water, 6.587e+004 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 4-thiacyclohexanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
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Potential Uses
Natural Occurrence
Synonyms
dihydro-2H-thiopyran-4(3H)-one
4-
oxothiane
tetrahydro-1-thio-4-pyrone
tetrahydro-1-thio-gamma-pyrone
tetrahydro-1,4-thiapyrone
tetrahydro-2H-thiopyran-4-one
2,3,5,6-
tetrahydro-4-thiopyranone
tetrahydro-4-thiopyrone
tetrahydro-4H-thiopyran-4-one
4-oxo
tetrahydrothiopyran
tetrahydrothiopyran-4-one
1-
tetrahydrothiopyran-4-one
tetrahydrothiopyranone
1-
thiacyclohexan-4-one
thian-4-one
4h-
thiopyran-4-one, tetrahydro-
4H-
thiopyran-4-one, tetrahydro- (8CI)(9CI)
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