Methyl-P-Coumarate
Grundinformationen
- CAS
19367-38-5- Standard-SMILES
COC(=O)/C=C/c1ccc(O)cc1- InChIKey
NITWSHWHQAQBAW-QPJJXVBHSA-N- Summenformel
- C10H10O3
- Durchschnittliche Molmasse
- 178,18 g/mol
- Monoisotopische Masse
- 178,06299418
Überblick
4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as an antifungal agent, a melanin synthesis inhibitor, an anti-inflammatory agent, a plant metabolite and a fungal metabolite. It is a methyl ester, a member of phenols and a cinnamate ester. It is functionally related to a 4-coumaric acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl-P-Coumarate
- IUPAC
- methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- Englischer Name
- (E)-Methyl 4-coumarate
- Summenformel
- C10H10O3
- Molmasse
- 178.18
Namen und Synonyme
Methyl-p-coumaratemethyl-hydroxycinnamateRefChem:522166Methyl 4-hydroxycinnamate19367-38-5Methyl p-hydroxycinnamate(E)-Methyl 4-coumarateMethyl trans-p-Coumarate4-Hydroxycinnamic acid methyl ester(E)-Methyl 3-(4-hydroxyphenyl)acrylatemethyl coumaratemethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Weitere Namen anzeigen
(E)-4-HydroxycinnaMic Acid Methyl Estertrans-4-Hydroxycinnamic Acid Methyl EsterOMpCAMETHYL 4-COUMARATETIMTEC-BB SBB002393Methyl trans-p-Coumarat
MFCD00157167p-hydroxy methyl cinnamatepCAMEMethyl (E)-3-(4-hydroxyphenyl)acrylatemethyl 4-hydroxy cinnamatemethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoateCHEMBL1468162-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, (2E)-
Datenbank-Bezeichner
- CAS
19367-38-5、3943-97-3- PubChem CID
- 5319562
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
Physikochemische Eigenschaften
- Schmelzpunkt
- 138 · 138-140°C
- Siedepunkt
- 306.6 · 306.6±17.0 °C(Predicted)
- Dichte
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 8.82 · 8.82±0.13(Predicted)
- Farbe
- Off-White to Beige
- Kosmetik-Inhaltsstoffe Funktionen
- VISCOSITY CONTROLLINGSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- InChI
- 1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
- InChIKey
- NITWSHWHQAQBAW-QPJJXVBHSA-N
- SMILES
- O=C(OC)/C=C/C1=CC=C(O)C=C1
- CAS Datenbank
- 19367 · 19367-38-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2916.39.7900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenMethyl 4-hydroxycinnamate is an antifungal agent,it is used in structure-antifungal activity relationship study against Aspergillus flavus, Aspergillus terreus, and Aspergillus niger.
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