1-Methylthio-2-propanone (CAS 14109-72-9) — formula C4H8OS, molecular weight 104.17; category organic chemicals.
| CAS Number | 14109-72-9 |
|---|---|
| Molecular Formula | C4H8OS |
| Molecular Weight | 104.17 |
| Boiling Point | 35.00 to 40.00 °C. @ 15.00 mm Hg |
| LogP | 0.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
1-Methylthio-2-propanone is a carbon-based organic compound with CAS registry number 14109-72-9 and molecular formula C4H8OS (molecular weight 104.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 14109-72-9
Its molecular formula C4H8OS comprises 4 C, 8 H, 1 O, 1 S atoms.
Also known as: 1-Methylthio-2-propanone · 1-甲硫基-2-丙酮
Category: organic chemicals
The CAS registry number of 1-Methylthio-2-propanone is 14109-72-9.
Molecular formula C4H8OS, molecular weight 104.17.
It is also registered under: 1-Methylthio-2-propanone, 1-甲硫基-2-丙酮.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for 1-Methylthio-2-propanone (CAS 14109-72-9), compiled from public chemistry databases.
| CAS Registry Number | 14109-72-9 |
|---|---|
| PubChem CID | 6430713 |
| Molecular formula | C4H8OS |
| IUPAC name | 1-methylsulfanylpropan-2-one |
| UNII (FDA) | S6V0DW7BQA |
| FEMA number | 3882 |
| JECFA number | 495 |
| Molecular Weight | 104.17 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.02958605 |
| Monoisotopic Mass | 104.02958605 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 6 |
| Boiling Point | 35.00 to 40.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 35-40 °C (15 mm Hg) |
| Density | 0.967-0.973 |
| Refractive Index | 1.395-1.405 |
1-methylthio-2-propanone; 14109-72-9; (Methylthio)acetone; 2-Propanone, 1-(methylthio)-; 1-(methylsulfanyl)propan-2-one; 1-(methylthio)-2-propanone; 2-Thia-4-pentanone; FEMA No. 3882; alpha(Methylthio)acetone; S6V0DW7BQA; 1-Methylthio-2-propanone [FHFI]; alpha-(Methylthio)propanone; DTXSID30161572; .ALPHA.(METHYLTHIO)ACETONE; .ALPHA.-(METHYLTHIO)PROPANONE; RefChem:434686
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
1-Methylthio-2-propanone · CAS 14109-72-9 · C4H8OS. UNII S6V0DW7BQA. Boiling Point: 35.00 to 40.00 °C. @ 15.00 mm Hg; Boiling Point: 35-40 °C (15 mm Hg); Density: 0.967-0.973.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲硫基-2-丙酮