4-mercapto-4-methylpentan-2-one (CAS 19872-52-7) — formula C6H12OS, molecular weight 132.23; category organic chemicals.
4-mercapto-4-methylpentan-2-one (CAS 19872-52-7) is a organic chemicals. Its molecular formula C6H12OS comprises 6 C, 12 H, 1 O, 1 S atoms. Its molecular weight is about 132.23. Reported physicochemical data: boiling point around 47-49 °C (15 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 | 19872-52-7 |
|---|---|
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.23 |
| Boiling Point | 47-49 °C (15 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 |
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.
4-mercapto-4-methylpentan-2-one is a carbon-based organic compound with CAS registry number 19872-52-7 and molecular formula C6H12OS (molecular weight 132.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 19872-52-7
Its molecular formula C6H12OS comprises 6 C, 12 H, 1 O, 1 S atoms.
Also known as: 4-mercapto-4-methylpentan-2-one · 4-巯基-4-甲基-2-戊酮 · 4-Methyl-4-mercapto-pentan-2-one · 4-Mercapto-4-methyl-2-pentanone
Category: organic chemicals
The CAS registry number of 4-mercapto-4-methylpentan-2-one is 19872-52-7.
Molecular formula C6H12OS, molecular weight 132.23.
It is also registered under: 4-mercapto-4-methylpentan-2-one, 4-巯基-4-甲基-2-戊酮, 4-Methyl-4-mercapto-pentan-2-one, 4-Mercapto-4-methyl-2-pentanone.
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.
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 4-mercapto-4-methylpentan-2-one (CAS 19872-52-7), compiled from public chemistry databases.
| CAS Registry Number | 19872-52-7 |
|---|---|
| PubChem CID | 88290 |
| Molecular formula | C6H12OS |
| Molecular weight | 132.06 g/mol |
| IUPAC name | 4-methyl-4-sulfanylpentan-2-one |
| InChIKey | QRNZMFDCKKEPSX-UHFFFAOYSA-N |
| UNII (FDA) | 9524RG5ZQL |
| ChEBI ID | CHEBI:77856 |
| FEMA number | 3997 |
| JECFA number | 1293 |
| Molecular Weight | 132.23 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.06088618 |
| Monoisotopic Mass | 132.06088618 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 47-49 °C (15 mm Hg) |
|---|---|
| Density | 1.032-1.037 |
| Refractive Index | 1.431-1.437 |
19872-52-7; 4-Mercapto-4-methyl-2-pentanone; 4-Mercapto-4-methylpentan-2-one; 4-methyl-4-sulfanylpentan-2-one; 2-Pentanone, 4-mercapto-4-methyl-; 4-methyl-4-mercapto-2-pentanone; 9524RG5ZQL; DTXSID8051839; FEMA NO. 3997; CHEBI:77856; 2-MERCAPTO-2-METHYLPENTAN-4-ONE; RefChem:524398; DTXCID3030395; 243-386-8; 4-Methyl-4-mercaptopentan-2-one; 4-Methyl-4-thiolpentan-2-one
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Box Tree, Cat, Citrus, Meat No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 71.2% (116 / 163) |
| GHS notification summary | 71.2% (116 / 163) |
|---|---|
| Reported hazard statements | H226 (28.8%), H315 (24.5%), H319 (27.6%), H335 (27%) |
This chemical does not meet GHS hazard criteria for 71.2% (116 of 163) of all reports.
H226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]
4-Mercapto-4-methyl-2-pentanone is identified by CAS 19872-52-7, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII 9524RG5ZQL; ChEBI 77856; InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N. Boiling Point: 47-49 °C (15 mm Hg); Density: 1.032-1.037; Refractive Index: 1.431-1.437.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-巯基-4-甲基-2-戊酮