3,4-dimethylthiophene (CAS 632-15-5) — formula C6H8S, molecular weight 112.19; category organic chemicals.
| CAS Number | 632-15-5 |
|---|---|
| Molecular Formula | C6H8S |
| Molecular Weight | 112.19 |
| Boiling Point | 144.00 to 146.00 °C. @ 760.00 mm Hg |
| LogP | 2.3 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
3,4-dimethylthiophene is a carbon-based organic compound with CAS registry number 632-15-5 and molecular formula C6H8S (molecular weight 112.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 632-15-5
Its molecular formula C6H8S comprises 6 C, 8 H, 1 S atoms.
Also known as: 3,4-dimethylthiophene · 3,4-二甲基噻吩
Category: organic chemicals
The CAS registry number of 3,4-dimethylthiophene is 632-15-5.
Molecular formula C6H8S, molecular weight 112.19.
It is also registered under: 3,4-dimethylthiophene, 3,4-二甲基噻吩.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for 3,4-dimethylthiophene (CAS 632-15-5), compiled from public chemistry databases.
| CAS Registry Number | 632-15-5 |
|---|---|
| PubChem CID | 79089 |
| Molecular formula | C6H8S |
| IUPAC name | 3,4-dimethylthiophene |
| UNII (FDA) | 96Q084Q43E |
| FEMA number | 4645 |
| JECFA number | 2110 |
| Molecular Weight | 112.19 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.03467143 |
| Monoisotopic Mass | 112.03467143 |
| Topological Polar Surface Area | 28.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 144.00 to 146.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 144-146 °C |
| Density | 1.002-1.008 (20 °C) |
| Refractive Index | 1.517-1.523 |
3,4-Dimethylthiophene; 632-15-5; Thiophene, 3,4-dimethyl-; 3,4-dimethyl-thiophene; UNII-96Q084Q43E; CHEBI:89511; 96Q084Q43E; FEMA NO. 4645; DTXSID40212549; RefChem:91229; FEMA 4645; DTXCID20135040; 874-601-9; GPSFYJDZKSRMKZ-UHFFFAOYSA-N; MFCD01764731; SCHEMBL129408
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Baked Onion No safety concern at current levels of intake when used as a flavouring agent TRS 974-JECFA 76 |
|---|
| Reported hazard statements | H226 (100%), H302, H312, H332 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
3,4-dimethylthiophene · CAS 632-15-5 · C6H8S. UNII 96Q084Q43E. Boiling Point: 144.00 to 146.00 °C. @ 760.00 mm Hg; Boiling Point: 144-146 °C; Density: 1.002-1.008 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,4-二甲基噻吩