Grundinformationen
- Standard-SMILES
O=C(O)C=Cc1ccccc1- InChIKey
WBYWAXJHAXSJNI-UHFFFAOYSA-N- Summenformel
- C9H8O2
- Durchschnittliche Molmasse
- 148,16 g/mol
- Monoisotopische Masse
- 148,0524295
Überblick
(E/Z)-cinnamic acid has been reported in Camellia sinensis, Hoya crassipes, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Propenoic acid, 3-phenyl-
- IUPAC
- 3-phenylprop-2-enoic acid
Namen und Synonyme
2-Propenoic acid, 3-phenyl-3-Phenyl-2-propenoic acidRefChem:89283BenzalaceticacidNSC 9189.beta.-Phenylacrylic acid3-Phenylacrylic acid; beta-Phenylacrylic acidCINNAMATE SODIUMcinnamoic acidcinnamoyl alcohol3-Phenyl-2-propenoic Acid; 3-Phenylacrylic Acid; NSC 623441; NSC 9189; Phenylacrylic Acid; ss-Phenylacrylic AcidZimtsaeure [German]
Weitere Namen anzeigen
(E/Z)-cinnamic acidStyrene Carboxylic AcidCinnamic acid (natural)Kyselina skoricove [Czech]SCHEMBL1333SCHEMBL410113orb1301623SCHEMBL1267986
Datenbank-Bezeichner
- CAS
621-82-9- PubChem CID
- 8784
- DTXSID
DTXSID40110056
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
LogP2.37
Solubility
insoluble in water; soluble in oils
slightly soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point300 °C
Physical DescriptionWhite crystalline scales, honey floral odour
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-
Cinnamic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cinnamic acid: Human health tier II assessment
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
Verwendung und Herstellung
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Propenoic acid, 3-phenyl-: ACTIVE
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