Tetrahydrothiophen-3-one (CAS 1003-04-9) — formula C4H6OS, molecular weight 102.16; category food flavors.
| CAS Number | 1003-04-9 |
|---|---|
| Molecular Formula | C4H6OS |
| Molecular Weight | 102.16 |
| Boiling Point | 175.00 °C. @ 760.00 mm Hg |
| LogP | 0.4 |
| Applications | Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3(2H)-Thiophenone, dihydro-: ACTIVE |
| Category | Flavors & Fragrances |
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3(2H)-Thiophenone, dihydro-: ACTIVE.
Tetrahydrothiophen-3-one is a flavoring compound with CAS registry number 1003-04-9 and molecular formula C4H6OS (molecular weight 102.16), belonging to the food flavors segment of chemical raw materials.
CAS number: 1003-04-9
Its molecular formula C4H6OS comprises 4 C, 6 H, 1 O, 1 S atoms.
Also known as: Tetrahydrothiophen-3-one · 四氢噻吩-3-酮
Category: food flavors
The CAS registry number of Tetrahydrothiophen-3-one is 1003-04-9.
Molecular formula C4H6OS, molecular weight 102.16.
It is also registered under: Tetrahydrothiophen-3-one, 四氢噻吩-3-酮.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3(2H)-Thiophenone, dihydro-: ACTIVE.
Category: Flavors & Fragrances.
Independent reference data for Tetrahydrothiophen-3-one (CAS 1003-04-9), compiled from public chemistry databases.
| 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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 四氢噻吩-3-酮