4-Methyl-4-mercapto-pentan-2-one (CAS No. 19872-52-7) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals
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The CAS number of 4-Methyl-4-mercapto-pentan-2-one is 19872-52-7.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals.
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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.
| 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 |
| Formal Charge | 0 |
| Boiling Point | 47-49 °C (15 mm Hg) |
|---|---|
| Density | 1.032-1.037 |
| Refractive Index | 1.431-1.437 |
| 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]
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
CAS 19872-52-7; molecular formula C6H12OS; molecular weight 132.06 g/mol.
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.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
71.2% of GHS notifications report no hazard classification (116 of 163).
Boiling Point: 47-49 °C (15 mm Hg); Density: 1.032-1.037; Refractive Index: 1.431-1.437.
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.
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