Grundinformationen
- Standard-SMILES
CCOC(=O)/C=C/c1ccccc1- InChIKey
KBEBGUQPQBELIU-CMDGGOBGSA-N- Summenformel
- C11H12O2
- Durchschnittliche Molmasse
- 176,21 g/mol
- Monoisotopische Masse
- 176,08372962
Überblick
Ethyl cinnamate is an alkyl cinnamate and an ethyl ester.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl Cinnamate
- IUPAC
- ethyl (E)-3-phenylprop-2-enoate
Namen und Synonyme
ETHYL CINNAMATE103-36-6EthylcinnamateCinnamic acid ethyl esterEthylcinnamoateethyl (E)-3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, ethyl esterEthyl benzylideneacetateFEMA No. 2430SemaSORB 9827C023P3M5JJNSC-6773
Weitere Namen anzeigen
DTXCID802520DTXSID9022520RefChem:5810203-104-64192-77-2(E)-ethyl cinnamateEthyl (E)-cinnamateEthyl trans-cinnamate
Datenbank-Bezeichner
- CAS
103-36-6、4192-77-2- PubChem CID
- 637758
- DTXSID
DTXSID601017688- ChEMBL
CHEMBL318196- ChEBI
CHEBI:4895- UNII
- C023P3M5JJ
- EC Number
- 203-104-6
- Nikkaji
- J2.849E、J45.977A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 179
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
CosmeticsUv absorber
FragrancesFragrance Ingredient (Ethyl cinnamate) -> IFRA transparency List
LogP2.91
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.044-1.051
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in alcohols
miscible (in ethanol)
Boiling Point271-272 °C
Vapor Pressure0.00327 [mmHg]
Refractive Index1.558-1.562
Physical Description
Liquid
Nearly colorless oily liquid with a fruity, balsamic odor like cinnamon; mp = 6-10 deg C; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid, sweet balsamic-honey note
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1623 of 1623) of all reports.
Not Classified
Aggregated GHS information provided per 1623 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, ethyl ester
Regulation (EC) No 1831/2003 (amended)
2-Propenoic acid, 3-phenyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, ethyl 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: 28-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16754
Ethyl cinnamate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-phenyl-, ethyl ester: Human health tier I assessment
Hazards Summary
Causes somnolence and changes in motor activity in acute inhalation studies of mice; Causes blood changes and effects on enzymes in 17-week intermittent oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a fragrance and flavoring agent; [Merck Index] A pine weevil antifeedant. [ChemIDplus]
U.S. Production2020: 405 lb
Consumer UsesFragrance
Household ProductsInformation on 13 consumer products that contain Ethyl Cinnamate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Uv absorber
General Manufacturing Information2-Propenoic acid, 3-phenyl-, ethyl ester: ACTIVE
Zugehörige Reaktionen
111
Verknüpfte Notizen
Wird geladen…