2-METHYLTETRAHYDROTHIOPHEN-3-ONE (CAS 13679-85-1) — formula C5H8OS, molecular weight 116.03 g/mol; category organic chemicals.
2-METHYLTETRAHYDROTHIOPHEN-3-ONE (CAS 13679-85-1) is a organic chemicals. Its molecular formula C5H8OS comprises 5 C, 8 H, 1 O, 1 S atoms. Its molecular weight is about 116.03 g/mol. Reported physicochemical data: boiling point around 64-65 °C (11 mm Hg), LogP about 0.8. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 13679-85-1 |
|---|---|
| Molecular Formula | C5H8OS |
| Molecular Weight | 116.03 g/mol |
| Boiling Point | 64-65 °C (11 mm Hg) |
| LogP | 0.8 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
2-METHYLTETRAHYDROTHIOPHEN-3-ONE is a carbon-based organic compound with CAS registry number 13679-85-1 and molecular formula C5H8OS (molecular weight 116.03 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13679-85-1
Its molecular formula C5H8OS comprises 5 C, 8 H, 1 O, 1 S atoms.
Also known as: 2-METHYLTETRAHYDROTHIOPHEN-3-ONE · 2-甲基-四氢噻吩-3-酮
Category: organic chemicals / food flavors
The CAS registry number of 2-METHYLTETRAHYDROTHIOPHEN-3-ONE is 13679-85-1.
Molecular formula C5H8OS, molecular weight 116.03 g/mol.
It is also registered under: 2-METHYLTETRAHYDROTHIOPHEN-3-ONE, 2-甲基-四氢噻吩-3-酮.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 2-METHYLTETRAHYDROTHIOPHEN-3-ONE (CAS 13679-85-1), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基-四氢噻吩-3-酮