Ethyl 4-hydroxyhydrocinnamate

HCID 2736435

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Grundinformationen

CAS: 23795-02-0
Standard-SMILES: CCOC(=O)CCc1ccc(O)cc1
InChIKey: UFMFPPAZUJDUMY-UHFFFAOYSA-N
Summenformel: C11H14O3
Durchschnittliche Molmasse: 194,23 g/mol
Monoisotopische Masse: 194,0942943

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-hydroxyhydrocinnamate
IUPAC: ethyl 3-(4-hydroxyphenyl)propanoate
Englischer Name: Ethyl 4-Hydroxyhydrocinnamate
Summenformel: C11H14O3
Molmasse: 194.23

Namen und Synonyme

ETHYL 4-HYDROXYHYDROCINNAMATERefChem:595448653-330-8Ethyl 3-(4-hydroxyphenyl)propanoate23795-02-0Ethyl p-hydroxyhydrocinnamateEthyl phloretateethyl 3-(4-hydroxyphenyl)propionateMFCD00020209Benzenepropanoic acid, 4-hydroxy-, ethyl ester3-(4-Hydroxyphenyl)propionic acid ethyl ester3-(4-hydroxy-phenyl)-propionic acid ethyl ester

Weitere Namen anzeigen

Landiolol Impurity 76Ethyl 4-Hydroxyhydrocinnamate USP/EP/BPEthyl 3-(4-hydroxyphenyl)propanoate 95%Ethyl 3-(4-hydroxyphenyl)propanoate, 95+%3-(4-hydroxyphenyl)propanoic acid ethyl ester

Ethyl4-HydroxyhydrocinnamateEthyl3-(4-Hydroxyphenyl)propanoateSCHEMBL304455Ethyl p-hydroxyphenylpropionate8R568DFF4Tethyl 4-hydroxybenzenepropanoateorb1991517SCHEMBL5543917

Datenbank-Bezeichner

CAS: 23795-02-0
PubChem CID: 2736435
DTXSID: DTXSID80371361
UNII: 8R568DFF4T
EC Number: 653-330-8
Nikkaji: J1.776.138B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 40 °C · 40 °C
Siedepunkt: 140 °C · 140 °C(Press: 0.2 Torr)
Dichte: 1.108 · 1.108
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: low melting solid / colourless liquid
pka: 9.99 · 9.99±0.15(Predicted)
Farbe: White
CAS Datenbank: 23795 · 23795-02-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.