-
Name
Methyl caffeate
- EINECS
- CAS No. 3843-74-1
- Article Data123
- CAS DataBase
- Density 1.318 g/cm3
- Solubility
- Melting Point 158-161°C
- Formula C10H10O4
- Boiling Point 367.6 °C at 760 mmHg
- Molecular Weight 194.187
- Flash Point 148.3 °C
- Transport Information
- Appearance Slightly yellowish solid
- Safety S24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Cinnamicacid, 3,4-dihydroxy-, methyl ester (6CI,7CI,8CI);Caffeic acid methyl ester;Methyl 3,4-dihydroxycinnamate;
- PSA 66.76000
- LogP 1.28400
Methyl caffeate Chemical Properties
Molecular Structure of Methyl caffeate (CAS NO.3843-74-1):
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IUPAC Name: methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Empirical Formula: C10H10O4
Molecular Weight: 194.184
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 44.76Å2
Molar Refractivity: 52.31 cm3
Molar Volume: 147.2 cm3
Surface Tension: 57 dyne/cm
Melting Point: 158-161°C
Density: 1.318 g/cm3
Flash Point: 148.3 °C
Storage temp: 0-6°C
Enthalpy of Vaporization: 63.83 kJ/mol
Boiling Point: 367.6 °C at 760 mmHg
Vapour Pressure: 6.38E-06 mmHg at 25°C
InChI
InChI=1/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3
Smiles
c1c(O)c(O)ccc1\C=C\C(=O)OC
Appearance: Slightly yellowish solid
Methyl caffeate Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
Methyl caffeate Specification
Methyl caffeate , its cas register number is 3843-74-1. It also can be called 3-(3,4-Dihydroxyphenyl)propenoic acid methyl ester ; Caffeic acid methyl ; 3,4-Dihydroxycinnamic acid methyl ester ; 3-(3,4-Dihydroxyphenyl)acrylic acid methyl ester ; Cinnamicacid, 3,4-dihydroxy-, methyl ester (6CI,7CI,8CI) ; Methyl 3,4-dihydroxycinnamate .
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