compound introduction
二氢-2(3H)-噻吩酮是四氢噻吩类化合物的一员
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
thiolan-2-one
Dangerous GoodsCAS number：1003-10-7 molecular formula：C4H6OS
overview
Specs
| Chinese alias | 二氢-2(3H)-噻吩酮、硫代环戊酮 | ||
| English alias | BUTYRIC ACID, 4-MERCAPTO-, .GAMMA.-(THIOLACTONE) | Thiacyclopentan-2-one | W15445 | 2-Thiolanone | 5-17-09-00012 (Beilstein Handbook Reference) | UNII-A3ERZ734SN | CHEBI:89059 | EINECS 213-700-8 | NSC-54087 | J-000094 | InChI=1/C4H6OS/c5-4-2-1-3-6-4/h1-3H | ||
| CAS number | 1003-10-7 | molecular formula | C4H6OS |
| molecular weight | 102.16 | Exact mass | ≥98% |
| PSA | 42.4 | logp | 0.7 |
numbering system
| CAS | 1003-10-7 |
| UNII | A3ERZ734SN |
| HMDB ID | HMDB0031253 |
| ChEBI ID | 89059 |
| Wikidata | Q27161237 |
| NSC Number | NSC Number: NSC54087 |
| FEMA Number | 4570 |
| PubChem CID | 13852 |
| JECFA Number | 1923 |
| Nikkaji Number | J36.541F |
| DSSTox Substance ID | DTXSID3061390 |
| Metabolomics Workbench ID | 44784 |
| European Community (EC) Number | 213-700-8 |
| PubChem Reference Collection SID | 505635335 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.7 |
| Density | 1.175-1.185 (20°) |
| Complexity | 69.9 |
| Exact Mass | 102.01393598 |
| Solubility | Soluble (in ethanol) |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
| Formal Charge | 0 |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Heavy Atom Count | 6 |
| Molecular Weight | 102.16 |
| Refractive Index | 1.518-1.528 |
| Monoisotopic Mass | 102.01393598 |
| Isotope Atom Count | 0 |
| Physical Description | Clear colourless to yellow liquid; Burnt garlic aroma |
| Rotatable Bond Count | 0 |
| Kovats Retention Index | Standard polar: 1615 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 42.4 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 2(3H)-Thiophenone, dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Acute Tox. 4 (100%)
Production methods and uses
purpose
Use Classification：
Flavoring Agents -> JECFA Flavorings Index
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
1003-10-7 | γ-Thiobutyrolactone.pdf
