2-甲基-四氢噻吩-3-酮（CAS 13679-85-1）：分子式 C5H8OS、分子量 116.18。
| CAS号 | 13679-85-1 |
|---|---|
| 分子式 | C5H8OS |
| 分子量 | 116.18 |
| 沸点 | 64-65 °C (11 mm Hg) |
| LogP | 0.8 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 3(2H)-Thiophenone、dihydro-2-methyl-: ACTIVE |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 3(2H)-Thiophenone、dihydro-2-methyl-: ACTIVE。
2-甲基-四氢噻吩-3-酮 是一种化工化合物，登记 CAS 号为 13679-85-1，分子式 C5H8OS（分子量 116.18）。
登记 CAS 号：13679-85-1
其分子式 C5H8OS 由 5 个碳、8 个氢、1 个氧、1 个硫 组成。
别名/同义词：2-甲基-四氢噻吩-3-酮 · 2-METHYLTETRAHYDROTHIOPHEN-3-ONE
2-甲基-四氢噻吩-3-酮 的 CAS 登记号为 13679-85-1。
分子式 C5H8OS，分子量 116.18。
别名/同义词：2-甲基-四氢噻吩-3-酮、2-METHYLTETRAHYDROTHIOPHEN-3-ONE。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 3(2H)-Thiophenone、dihydro-2-methyl-: ACTIVE。
2-甲基-四氢噻吩-3-酮（CAS 13679-85-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 13679-85-1 |
|---|---|
| PubChem CID | 61664 |
| Molecular formula | C5H8OS |
| Molecular weight | 116.03 g/mol |
| IUPAC name | 2-methylthiolan-3-one |
| InChIKey | YMZZPMVKABUEBL-UHFFFAOYSA-N |
| UNII (FDA) | TN0FKW9W4K |
| ChEBI ID | CHEBI:87506 |
| FEMA number | 3512 |
| JECFA number | 499 |
| Molecular Weight | 116.18 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 116.02958605 |
| Monoisotopic Mass | 116.02958605 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 7 |
| Boiling Point | 64-65 °C (11 mm Hg) |
|---|---|
| Density | 0.958-0.970 |
| Refractive Index | 1.510-1.520 |
13679-85-1; 2-Methyltetrahydrothiophen-3-one; Dihydro-2-methyl-3(2H)-thiophenone; 3(2H)-Thiophenone, dihydro-2-methyl-; 2-Methyl-3-oxotetrahydrothiophene; FEMA No. 3512; Dihydro-2-methyl-3-thiophenone; TN0FKW9W4K; 2-Methyl-4,5-dihydro-3(2H)-thiophenone; DTXSID60864428; RefChem:476281; DTXCID80812946; 237-183-3; 2-Methylthiolan-3-one; 2-Methyldihydrothiophen-3(2H)-one; UNII-TN0FKW9W4K
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Cabbage, Must, Onion No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 6.2% (90 / 1448) |
| GHS notification summary | 6.2% (90 / 1448) |
|---|---|
| Reported hazard statements | H302 (89.3%) |
This chemical does not meet GHS hazard criteria for 6.2% (90 of 1448) of reports.
H302 (89.3%): Harmful if swallowed [Warning Acute toxicity, oral]
2-METHYLTETRAHYDROTHIOPHEN-3-ONE is identified by CAS 13679-85-1, molecular formula C5H8OS and molecular weight 116.03 g/mol. UNII TN0FKW9W4K; ChEBI 87506; InChIKey YMZZPMVKABUEBL-UHFFFAOYSA-N. Boiling Point: 64-65 °C (11 mm Hg); Density: 0.958-0.970; Refractive Index: 1.510-1.520.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-METHYLTETRAHYDROTHIOPHEN-3-ONE