HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methylthio-2-propanone
(METHYLTHIO)ACETONE · Methylthio propanone · 1-Methylthiopropanone · 1-(methylthio)acetone · acetonyl methyl sulfide · Acetonyl methyl sulphide · 1-Methylthio-2-propanone · (Methylthio)acetone, 98+%
Identifiers & Physical Properties
| CAS No. | 14109-72-9 |
|---|---|
| Molecular formula | C4H8OS |
| Average molar mass | 104.17 g/mol |
| Monoisotopic mass | 104.02958588 g/mol |
| SMILES | CSCC(C)=O |
| InChIKey | UKFADLGENFFWHR-UHFFFAOYSA-N |
| PubChem CID | 6430713 |
| ChEBI | CHEBI:179438 |
| EC No. | 604-217-7 |
| DTXSID | DTXSID30161572 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 42.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 51.5 |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.967-0.9731,023 g/cm3 |
| Flavoring agents | EU Flavoring substances |
| Solubility | very slightlyvery slightly soluble in watersoluble in alcohols and oils(in ethanol)Chloroform (Sparingly), Methanol (Slightly)Soluble in alcohol and slightly soluble in water. |
| Boiling point | 35.00 to 40.00 °C. @ 15.00 mm Hg35-40 °C (15 mm Hg)69-70°C 30mm |
| Refractive index | 1.395-1.4051.4740 |
| Physical Description | colourless to pale yellow liquid with odour of melon |
| FEMA | 3882 | 1-METHYLTHIO-2-PROPANONE |
| FLAVIS Number | 12.244 | 1-Methylthio-2-propanone |
| Flash point | 52°C |
| Physical state | Oil |
| Color | Colourless |
| Specific gravity | 1.023 |
| Odor | at 0.10 % in dipropylene glycol. melon |
| Odor type | melon |
| JECFA Number | 495 |
| BRN | 1737738 |
| LogP (partition coefficient) | 0.49 |
| Substances Added to Food (formerly EAFUS) | 1-METHYLTHIO-2-PROPANONE |
| CAS DataBase Reference | 14109-72-9(CAS DataBase Reference) |
| FDA UNII | S6V0DW7BQA |
| GHS pictogram | GHS02 |
| GHS hazard statements | H226 |
| GHS precautionary statements | P210-P240-P241-P280a-P303+P361+P353-P501a |
| Risk statements (R) | 10 |
| Safety statements (S) | 23-24/25 |
| UN transport number | 1224 |
| Hazard class | 3 |
| Packing group | III |
Safety & Regulations
| GHS classification | WarningH226 (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)Aggregated GHS information provided per 1383 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 2-Propanone, 1-(methylthio)- |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN transport number | 1224 |
| Risk statements (R) | 10 |
| GHS pictogram | GHS02 |
| Safety statements (S) | 23-24/25 |
| Hazard class | 3 |
| Packing group | III |
| GHS hazard statements | H226 |
| GHS precautionary statements | P210-P240-P241-P280a-P303+P361+P353-P501a |
Applications & Uses
Uses
1-Methylthio-2-propanone is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.