Grundinformationen
- Standard-SMILES
COC(=O)C=Cc1ccc(O)cc1- InChIKey
NITWSHWHQAQBAW-UHFFFAOYSA-N- Summenformel
- C10H10O3
- Durchschnittliche Molmasse
- 178,18 g/mol
- Monoisotopische Masse
- 178,06299418
Überblick
methyl hydroxycinnamate has been reported in Alpinia blepharocalyx, Gmelina asiatica, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Methyl p-coumarate
- IUPAC
- methyl 3-(4-hydroxyphenyl)prop-2-enoate
Namen und Synonyme
3943-97-3methyl 3-(4-hydroxyphenyl)prop-2-enoateP9G2H2437Dp-Hydroxycinnamic acid methyl esterDTXSID1013158774-Coumaric acid methyl esterNSC-154578RefChem:925733para-coumaric acid methyl esterDTXCID801745760223-531-1CHEBI:86904
Weitere Namen anzeigen
Methyl 3-(4-Hydroxyphenyl)Acrylatemethyl 4-coumarateMethyl p-coumaratep-coumaric acid methyl ester2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester3-(4-Hydroxyphenyl)-2-propenoic Acid Methyl EsterNSC 154578trans-4-Hydroxycinnamic Acid Methyl Ester
Datenbank-Bezeichner
- CAS
3943-97-3- PubChem CID
- 92203
- DTXSID
DTXSID101315877- UNII
- P9G2H2437D
- EC Number
- 223-531-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 190
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (98.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
Status: Active Update: 12-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18456
Hazard Classes and CategoriesSkin Sens. 1 (98.2%)
Zugehörige Reaktionen
29
Verknüpfte Notizen
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