4-Hydroxyzimtsure

4-Coumaric acid

HCID 322CAS 7400-08-0

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Grundinformationen

Standard-SMILES: O=C(O)C=Cc1ccc(O)cc1
InChIKey: NGSWKAQJJWESNS-UHFFFAOYSA-N
Summenformel: C9H8O3
Durchschnittliche Molmasse: 164,16 g/mol
Monoisotopische Masse: 164,04734411

Namen und Bezeichner

Bevorzugter Name: 4-Coumaric acid
IUPAC: 3-(4-hydroxyphenyl)prop-2-enoic acid
Lokaler Name: 4-Hydroxyzimtsure
Englischer Name: 4-Hydroxycinnamic acid
Summenformel: C9H8O3
Molmasse: 164.16

Namen und Synonyme

DTXSID6064660CHEBI:360903-(4-hydroxyphenyl)prop-2-enoic acidRefChem:1070546DTXCID10476054-Coumaric acidp-Hydroxycinnamic acidp-Hydroxy-cinnamic acid4-trans-4-Hydroxycinnamic acidparahydroxycinnamic acidp-hydroxy cinnamic acidAlkaline ceramidase

Weitere Namen anzeigen

4-Hydroxycinnamic acidTRANS-P-COUMARIC ACIDTRANS-4-COUMARIC ACIDP-CUMARIC ACIDPHCA3-(4-HYDROXYPHENYL)ACRYLIC ACID3-(4-Hydroxyphenyl)-2-propenoic acidpara-Coumaric acidTRANS-P-CUMARIC ACID

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-4hydroxycinnamic acid4- hydroxycinnamic acid4-hy droxycinnamic acid4-hydroxy-cinnamic acidEnamine_005378p-Coumaric acid (NIST)Epitope ID:116879

Datenbank-Bezeichner

CAS: 7400-08-0
PubChem CID: 322
DTXSID: DTXSID6064660
EC Number: 231-000-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Schmelzpunkt: 214 °C · 214 °C (dec.)(lit.)
Siedepunkt: 251.61 °C · 251.61°C (rough estimate)
Dichte: 1.2132 · 1.2132 (rough estimate)
Brechungsindex: 1.538 · 1.5380 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.65 · 4.65±0.10(Predicted)
Farbe: White to Off-White
Biologische Quelle: rabbit
Stabilität: Light Sensitive
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
InChIKey: NGSWKAQJJWESNS-UHFFFAOYSA-N
SMILES: C(O)(=O)C=CC1=CC=C(O)C=C1
LogP: 1.79 · 1.790
CAS Datenbank: 7400 · 7400-08-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Propenoic acid, 3-(4-hydroxyphenyl)-(7400-08-0)
EPA chemische Informationen: p-Hydroxycinnamic acid (7400-08-0)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 2918 29 00
RTECS-Nr.: GD9095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-36/37/39-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Hydroxycinnamic acid is the hydroxy derivative of Cinnamic Acid with antioxidant properties. It is a is a major component of lignocellulose. Studies suggest that 4-Hydroxycinnamic acid may reduce the risk of cancer by reducing the formation of carcinogenic nitrosamines. A recent study reports that 4-Hydroxycinnamic acid may act as a chemical castrator in bees by altering the epression of genes required for ovary development. This compound is common in pollen a major constituent of the worker bee diet, but it is not found in queen bees'royal jelly.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin 3-Phenyl-L-alanin

Nachgelagerte Produkte

Ciprofibrat 3-Cyclohexylpropionsure Methyl 3-(4-hydroxyphenyl)propionate 3-Amino-3-(4-hydroxyphenyl)propanoic acid 4-Hydroxy-β-nitrostyrene Succinimido-3-(4-hydroxyphenyl)propionat N-(p-Coumaroyl) Serotonin Methyl-p-hydroxycinnamat 3-(4-Hydroxyphenyl)propenoic acid benzyl ester Methyl 4-prenyloxycinnamate 2-Propenoic acid, 3-[4-(decyloxy)phenyl]-

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Ergänzende Hinweise

DefinitionChEBI: 4-coumaric acid is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate.