HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl Cinnamate
trans-Methyl Cinnamate · METHYL TRANS-CINNAMATE · 2-Propenoic acid, 3-phenyl-, methyl ester, (E)- · (E)-Methyl cinnamate · CINNAMIC ACID METHYL ESTER · Methyl cinnamate, (E) · METHYL 3-PHENYLACRYLATE · METHYL TRANS-3-PHENYLPROPENOATE
Identifikatoren & physikalische Daten
| CAS No. | 103-26-4 |
|---|---|
| Summenformel | C10H10O2 |
| Durchschnittliche Molmasse | 162,18 g/mol |
| Monoisotopische Masse | 162,06807956 g/mol |
| SMILES | COC(=O)/C=C/c1ccccc1 |
| InChIKey | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
| PubChem CID | 637520 |
| ChEMBL | CHEMBL55060 |
| ChEBI | CHEBI:6857 |
| EC No. | 203-093-8 |
| DTXSID | DTXSID5044314 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Stoffklassen | Other Classes -> Esters, Other |
| SpringerMaterials Properties | Chemical shift |
| Duftstoffe | Fragrance Ingredient (Methyl cinnamate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in oilsmoderately soluble (in ethanol)Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Siedepunkt | 262-263 °C260-262 °C(lit.) |
| Dampfdruck | 0.04 [mmHg] |
| Physical Description | LiquidSolid with a fruity, balsamic odor like strawberriesmp = 36 deg C[Merck Index] Light yellow crystalsmp = 36-38 deg C[Sigma-Aldrich MSDS]Colourless crystalline mass, fruity balsamic odour |
| Schmelzpunkt | 34-38 °C(lit.) |
| Dichte | 1.078 |
| Brechungsindex | 1.5766 |
| FEMA | 2698 | METHYL CINNAMATE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| Farbe | White to Off-White |
| Geruch | at 100.00 %. sweet balsam strawberry cherry |
| Geruchsart | balsamic |
| Biologische Quelle | synthetic |
| InChI | 1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ |
| InChIKey | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
| SMILES | COC(=O)\C=C\c1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.458 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 17.1% (298 of 1745) of reports.WarningH317 (82.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1745 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propenoic acid, 3-phenyl-, methyl esterRegulation (EC) No 1831/2003 (amended)2-Propenoic acid, 3-phenyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/123662-Propenoic acid, 3-phenyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propenoic acid, 3-phenyl-, methyl ester: Human health tier I assessment |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[JECFA] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Sens. 1 (82.9%)Skin Sens. 1B (91.7%) |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 2916399090 |
| RTECS-Nr. | GE0190000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methyl trans-cinnamate was used to inhibit monophenolase and diphenolase activity of mushroom tyrosinase.