四氢噻吩-3-酮(CAS 1003-04-9):分子式 C4H6OS、分子量 102.16;类别 食用香精。
| CAS号 | 1003-04-9 |
|---|---|
| 分子式 | C4H6OS |
| 分子量 | 102.16 |
| 沸点 | 175.00 °C. @ 760.00 mm Hg |
| LogP | 0.4 |
| 类别 | 香精香料 |
四氢噻吩-3-酮 是一种食用香精化合物,登记 CAS 号为 1003-04-9,分子式 C4H6OS(分子量 102.16),归属于食用香精大类化工原料。
登记 CAS 号:1003-04-9
其分子式 C4H6OS 由 4 个碳、6 个氢、1 个氧、1 个硫 组成。
别名/同义词:四氢噻吩-3-酮 · Tetrahydrothiophen-3-one
所属分类:食用香精
四氢噻吩-3-酮 的 CAS 登记号为 1003-04-9。
分子式 C4H6OS,分子量 102.16。
别名/同义词:四氢噻吩-3-酮、Tetrahydrothiophen-3-one。
所属分类:香精香料。
四氢噻吩-3-酮(CAS 1003-04-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 1003-04-9 |
|---|---|
| PubChem CID | 61252 |
| Molecular formula | C4H6OS |
| IUPAC name | thiolan-3-one |
| UNII (FDA) | 0E9MKH53DV |
| FEMA number | 3266 |
| JECFA number | 498 |
| Molecular Weight | 102.16 |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 102.01393598 |
| Monoisotopic Mass | 102.01393598 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 6 |
| Boiling Point | 175.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 174-175 °C; 73 °C (15 mm Hg) ; 86-87 °C (25 mm Hg) |
| Density | 1.194-1.199 (20 °C) |
| Refractive Index | 1.527-1.531 |
Tetrahydrothiophen-3-one; 1003-04-9; Dihydrothiophen-3(2H)-one; 3(2H)-THIOPHENONE, DIHYDRO-; Dihydro-3(2H)-thiophenone; 3-Tetrahydrothiophenone; FEMA No. 3266; 4,5-Dihydro-3(2H)thiophenone; UNII-0E9MKH53DV; 0E9MKH53DV; 3-thiolanone; EINECS 213-698-9; NSC-241151; tetrahydrothien-3-one; tetrahydro-thiophen-3-one; DIHYDRO-3(2H)THIOPHENONE, 4,5-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (92.8%), H315 (90.4%), H319 (90.4%), H335 (90.3%) |
|---|
H302 (92.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Tetrahydrothiophen-3-one · CAS 1003-04-9 · C4H6OS. UNII 0E9MKH53DV. Boiling Point: 175.00 °C. @ 760.00 mm Hg; Boiling Point: 174-175 °C; 73 °C (15 mm Hg) ; 86-87 °C (25 mm Hg); Density: 1.194-1.199 (20 °C).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Tetrahydrothiophen-3-one