Methylpropionat
METHYL PROPANOATE · C3 · FEMA 2742 · METHYL PROPYLATE · C2H5COOCH3 · femanumber2742 · METHYLPROPIONAT · TRIANOIC METHYL
Identifikatoren & physikalische Daten
| CAS No. | 554-12-1 |
|---|---|
| Summenformel | C4H8O2 |
| Durchschnittliche Molmasse | 88,11 g/mol |
| Monoisotopische Masse | 88,05242949 g/mol |
| SMILES | CCC(=O)OC |
| InChIKey | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| PubChem CID | 11124 |
| ChEMBL | CHEMBL3183973 |
| ChEBI | CHEBI:89873 |
| EC No. | 209-060-4 |
| DTXSID | DTXSID7027201 |
| Lokaler Name | Methylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 49 |
| Schmelzpunkt | -88 °C (lit.) |
| Siedepunkt | 79 °C (lit.) |
| Dichte | 0.915 g/mL at 25 °C (lit.) |
| Dampfdichte | 3 (vs air) |
| Dampfdruck | 40 mm Hg ( 11 °C) |
| Brechungsindex | n20/D 1.376(lit.) |
| FEMA | 2742 | METHYL PROPIONATE |
| Flammpunkt | 43 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | H2O: soluble16 parts5 g/100 mL at 20 ºC |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 100.00 %. fresh harsh rum fruity strawberry apple |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 2.5-13%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 1.94 J/(g·K), at 25℃ |
| JECFA Number | 141 |
| Merck | 14,6112 |
| BRN | 1737628 |
| Henry-Konstante | 5.8×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 5.5(19℃) |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, bases. Readily forms explosive mixtures with air. Moisture sensitive. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 |
| InChIKey | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| SMILES | CCC(=O)OC |
| LogP (Verteilungskoeffizient) | 0.8 at 26.6℃ |
| CAS Datenbank | 554-12-1(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, methyl ester(554-12-1) |
| EPA chemische Informationen | Methyl propionate (554-12-1) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1248 |
| Zollcode | 2915 50 00 |
| RTECS-Nr. | UF5970000 |
| R-Sätze (R) | 11-20-2017/11/20 |
| Toxizität | LD50 orally in Rabbit: 5000 mg/kg |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-24-29-33 |
| Gefahrenklasse | 3Acute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 554-12-1(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 876 °F |
Anwendungen & Verwendung
Beschreibung
Methyl propionate, also known as methyl propanoate, is a chemical compound with the molecular formula C4H8O2. It is a volatile ester with a sweet, fruity, rum-like odor.
Occurrence
Reported found in guava, honey, melon, pineapple, raspberry, blackberry, strawberry, cheddar cheese, cooked beef, coffee, soy protein, durian (Durio zibethinus), starfruit, plum brandy, cherimoya, kiwifruit, naranjilla, mussels and rooibus tea (Aspalathus linearis)
Verwenden
Methyl propionate is used as a solvent for cellulose nitrate and lacquers, and as a raw material for the production of paints, varnishes and other chemicals such as methyl methacrylate. Due to its fruity smell and taste, it is also used in fragrances and flavoring.
Herstellung & Synthese
synthetische
Methyl propionate can be prepared by esterification of propionic acid with methanol. Industrially, it is prepared by the reaction of ethylene with carbon monoxide and methanol in the presence of nickel carbonyl.