2-甲基-四氢噻吩-3-酮，CAS 登记号 13679-85-1，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| Boiling Point | 64-65 °C (11 mm Hg) |
|---|---|
| Density | 0.958-0.970 |
| Refractive Index | 1.510-1.520 |
| 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]
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
CAS 13679-85-1; molecular formula C5H8OS; molecular weight 116.03 g/mol.
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.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
6.2% of GHS notifications report no hazard classification (90 of 1448).
Boiling Point: 64-65 °C (11 mm Hg); Density: 0.958-0.970; Refractive Index: 1.510-1.520.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.