3-Mercapto-2-butanone (CAS 40789-98-8) — formula C4H8OS, molecular weight 104.03 g/mol; category organic chemicals.
3-Mercapto-2-butanone (CAS 40789-98-8) is a organic chemicals. Its molecular formula C4H8OS comprises 4 C, 8 H, 1 O, 1 S atoms. Its molecular weight is about 104.03 g/mol. Reported physicochemical data: boiling point around 50 °C (18 mm Hg), LogP about 0.7. 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 | 40789-98-8 |
|---|---|
| Molecular Formula | C4H8OS |
| Molecular Weight | 104.03 g/mol |
| Boiling Point | 50 °C (18 mm Hg) |
| LogP | 0.7 |
| 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.
3-Mercapto-2-butanone is a carbon-based organic compound with CAS registry number 40789-98-8 and molecular formula C4H8OS (molecular weight 104.03 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40789-98-8
Its molecular formula C4H8OS comprises 4 C, 8 H, 1 O, 1 S atoms.
Also known as: 3-Mercapto-2-butanone · 3-巯基-2-丁酮
Category: organic chemicals / food flavors
The CAS registry number of 3-Mercapto-2-butanone is 40789-98-8.
Molecular formula C4H8OS, molecular weight 104.03 g/mol.
It is also registered under: 3-Mercapto-2-butanone, 3-巯基-2-丁酮.
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 3-Mercapto-2-butanone (CAS 40789-98-8), compiled from public chemistry databases.
| CAS Registry Number | 40789-98-8 |
|---|---|
| PubChem CID | 38679 |
| Molecular formula | C4H8OS |
| Molecular weight | 104.03 g/mol |
| IUPAC name | 3-sulfanylbutan-2-one |
| InChIKey | XLMPYCGSRHSSSX-UHFFFAOYSA-N |
| UNII (FDA) | 99G79565PJ |
| ChEBI ID | CHEBI:166838 |
| FEMA number | 3298 |
| JECFA number | 558 |
| Molecular Weight | 104.17 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 104.02958605 |
| Monoisotopic Mass | 104.02958605 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 6 |
| Boiling Point | 50 °C (18 mm Hg) |
|---|---|
| Density | 1.016 (20 °C) |
| Refractive Index | 1.469-1.479 |
3-Mercapto-2-butanone; 40789-98-8; 2-Mercapto-3-butanone; 3-sulfanylbutan-2-one; 2-BUTANONE, 3-MERCAPTO-; FEMA No. 3298; Mercapto-3 butanone-2; BRN 1737689; Mercapto-3 butanone-2 [French]; EINECS 255-082-2; UNII-99G79565PJ; 99G79565PJ; DTXSID90866016; 4-01-00-03993 (Beilstein Handbook Reference); 3-MERCAPTO-2-BUTANONE [FHFI]; RefChem:94532
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Onion No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (11.7%), H302 (88.3%), H315 (99.2%), H319 (100%), H332 (88.3%), H335 (99.2%) |
|---|
H226 (11.7%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (88.3%): Harmful if swallowed [Warning Acute toxicity, oral]
3-Mercapto-2-butanone is identified by CAS 40789-98-8, molecular formula C4H8OS and molecular weight 104.03 g/mol. UNII 99G79565PJ; ChEBI 166838; InChIKey XLMPYCGSRHSSSX-UHFFFAOYSA-N. Boiling Point: 50 °C (18 mm Hg); Density: 1.016 (20 °C); Refractive Index: 1.469-1.479.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基-2-丁酮