Grundinformationen
- Standard-SMILES
CCC(=O)OC- InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N- Summenformel
- C4H8O2
- Durchschnittliche Molmasse
- 88,11 g/mol
- Monoisotopische Masse
- 88,05242949
Namen und Bezeichner
- Bevorzugter Name
- Methyl propionate
- IUPAC
- methyl propanoate
- Lokaler Name
- Methylpropionat
- Englischer Name
- Methyl propionate
- Summenformel
- C4H8O2
- Molmasse
- 88.11
Namen und Synonyme
METHYL PROPIONATE554-12-1Methyl propylatePropionate de methyleFEMA No. 2742FEMA Number 2742Methyl Propionate (natural)NSC 9375HSDB 5688EINECS 209-060-4UNII-NB21C0D33WBRN 1737628
Weitere Namen anzeigen
C3FEMA 2742C2H5COOCH3femanumber2742METHYLPROPIONATTRIANOIC METHYLpropionatedemethyle
NB21C0D33WAI3-10621NSC-93754-02-00-00704 (Beilstein Handbook Reference)RefChem:6027209-060-4Methyl propanoatePropanoic acid, methyl ester
Datenbank-Bezeichner
- CAS
554-12-1- PubChem CID
- 11124
- DTXSID
DTXSID7027201- ChEMBL
CHEMBL3183973- ChEBI
CHEBI:89873- UNII
- NB21C0D33W
- EC Number
- 209-060-4
- Nikkaji
- J2.654I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 49
Physikochemische Eigenschaften
- Schmelzpunkt
- -88 °C · -88 °C (lit.)
- Siedepunkt
- 79 °C · 79 °C (lit.)
- Dichte
- 0.915 g/mL · 0.915 g/mL at 25 °C (lit.)
- Dampfdichte
- 3 · 3 (vs air)
- Dampfdruck
- 40 mm · 40 mm Hg ( 11 °C)
- Brechungsindex
- 20 · n20/D 1.376(lit.)
- FEMA
- 2742 · 2742 | METHYL PROPIONATE
- Flammpunkt
- 43 °F · 43 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: soluble16 parts
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Geruch (Odor)
- 100 % · at 100.00 %. fresh harsh rum fruity strawberry apple
- Geruchsart
- fruity
- Biologische Quelle
- synthetic
- Explosionsgrenze
- 2.5 · 2.5-13%(V)
- Wasserlöslichkeit
- 5 g/100 · 5 g/100 mL at 20 ºC
- Spezifische Wärmekapazität
- 1.94 J/ · Cp(liquid): 1.94 J/(g·K), at 25℃
- JECFA Number
- 141 · 141
- Merck
- 14 · 14,6112
- BRN
- 1737628 · 1737628
- Henry's Law Constant
- 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 5.5 · 5.5(19℃)
- Stabilität
- Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, bases. Readily forms explosive mixtures with air. Moisture sensitive.
- Major Application
- 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
- 0.8 at · 0.8 at 26.6℃
- CAS Datenbank
- 554 · 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 und Regulatorisches
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1248
- hs_code
- 2915 50 00
- RTECS-Nr.
- UF5970000
- risk_code
- 11-20-2017/11/20
- Toxizität
- LD50 orally in Rabbit: 5000 mg/kg
- hazard_code
- F,Xn
- safety_code
- 16-24-29-33
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 554-12-1(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2
- Selbstentzündungstemperatur
- 876 °F
Chemie und Industrie
Anwendungen
BeschreibungMethyl 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.
OccurrenceReported 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)
VerwendenMethyl 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.
Darstellung
synthetischeMethyl 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.
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