HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-3-phenylpropionat
Methyl 3-phenylpropanoate · METHYL 3-PHENYLPROPIONATE · Benzenepropanoic acid, methyl ester · METHYL HYDROCINNAMATE · FEMA 2741 · ASISCHEM D13382 · 3-phenylbutanoate · Methyl benzenepropan
Identifikatoren & physikalische Daten
| CAS No. | 103-25-3 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | COC(=O)CCc1ccccc1 |
| InChIKey | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| PubChem CID | 7643 |
| ChEMBL | CHEMBL2252087 |
| ChEBI | CHEBI:89875 |
| EC No. | 203-092-2 |
| DTXSID | DTXSID2059271 |
| Lokaler Name | Methyl-3-phenylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 137 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| SpringerMaterials Properties | Surface tension |
| LogP (Verteilungskoeffizient) | 2.32 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.037-1.0451.043 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watermiscible (in ethanol)Chloroform (Slightly), Methanol (Slightly)Soluble in chloroform. Insoluble in water. |
| Siedepunkt | 91.00 to 92.00 °C. @ 4.00 mm Hg238-239 °C91-92 °C4 mm Hg(lit.) |
| Brechungsindex | 1.499-1.505n20/D 1.502(lit.) |
| Physical Description | LiquidColourless liquid, powerful, fruity-winey floral sweet odour |
| Schmelzpunkt | 142-145 °C |
| FEMA | 2741 | METHYL 3-PHENYLPROPIONATE |
| Flammpunkt | 212 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| Geruch | at 100.00 %. honey fruity wine balsam floral |
| Geruchsart | honey |
| JECFA Number | 643 |
| BRN | 1909591 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChIKey | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 2.26 |
| CAS Datenbank | 103-25-3(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Phenylpropanoic acid methyl ester(103-25-3) |
| EPA chemische Informationen | Benzenepropanoic acid, methyl ester (103-25-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.6% (235 of 236) of all reports.Not ClassifiedAggregated GHS information provided per 236 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenepropanoic acid, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenepropanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Beschreibung
Methyl 3-phenylpropionate has a strong floral-fruity odor. May be prepared by reduction of methyl cinnamate in methanol solution with hydrogen and Ni under pressure.
Occurrence
Reported found in tabasco peppers, grapes, rhubarb, soursop and basil
Herstellung & Synthese
synthetische
By reduction of methyl cinnamate in methanol solution with hydrogen and Ni under pressure