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Name |
4-Hydroxycinnamic acid |
EINECS | 231-000-0 |
CAS No. | 7400-08-0 | Density | 1.33 g/cm3 |
PSA | 57.53000 | LogP | 1.49000 |
Solubility | N/A | Melting Point |
212-214 °C |
Formula | C9H8O3 | Boiling Point | 346.052 °C at 760 mmHg |
Molecular Weight | 164.161 | Flash Point | 177.284 °C |
Transport Information | N/A | Appearance | Light yellow to beige crystalline powder |
Safety | 26-36-36/37/39-22 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cinnamicacid, p-hydroxy-(8CI);3-(4-Hydroxyphenyl)-2-propenoic acid;3-(4-Hydroxyphenyl)acrylic acid;4-Coumaric acid; |
Article Data | 284 |
Conditions | Yield |
---|---|
With piperidine; pyridine for 1h; Knoevenagel-Doebner-Stobbe Reaction; Reflux; | 98% |
With ammonium acetate for 0.05h; Irradiation; | 97% |
With aluminum oxide; lithium chloride for 0.0833333h; Doebner condensation; microwave irradiation; | 97% |
(E)-4-iodocinnamic acid
p-Coumaric Acid
Conditions | Yield |
---|---|
With copper(I) oxide; 1-D-O-Methyl-chiro-inositol; sodium hydroxide In water at 100℃; for 6h; | 88% |
5-O-(E)-p-coumaroylquinic acid ethyl ester
A
p-Coumaric Acid
B
D-(-)-quinic acid
Conditions | Yield |
---|---|
With sulfuric acid; water In 1,4-dioxane at 90℃; for 3h; | A n/a B 2.5 mg |
Conditions | Yield |
---|---|
With sulfuric acid; water In 1,4-dioxane at 90℃; for 3h; |
Conditions | Yield |
---|---|
With sulfuric acid; water In 1,4-dioxane at 90℃; for 3h; |
4,2',3',6'-tetra-O-acetyl-3-O-(E)-p-coumaroylsucrose
A
D-Fructose
B
D-glucose
C
p-Coumaric Acid
Conditions | Yield |
---|---|
With sulfuric acid; water In 1,4-dioxane at 90℃; for 3h; |
1,2',3',4',6'-penta-O-acetyl-3-O-(E)-p-coumaroylsucrose
A
D-Fructose
B
D-glucose
C
p-Coumaric Acid
Conditions | Yield |
---|---|
With sulfuric acid; water In 1,4-dioxane at 90℃; for 3h; |
Conditions | Yield |
---|---|
With iodine In d(4)-methanol at 50℃; for 0.166667h; Time; Green chemistry; |
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate In water at 80℃; for 2h; | 94% |
With potassium carbonate In 1,4-dioxane; water at 80℃; for 12h; Inert atmosphere; | 93% |
With tetrakis(triphenylphosphine) palladium(0); lithium chloride; potassium hydroxide In water at 85℃; for 3h; Heck Reaction; | 95 %Chromat. |
Conditions | Yield |
---|---|
Einw. von Bacillus proteus vulgaris in Ringerscher Loesung; | |
With 1,3-bis[tris(hydroxymethyl)methylamino]-propane; Arabidopsis thaliana phenylalanine ammonia lyase 1 In water at 37℃; pH=8.4; Enzyme kinetics; Further Variations:; Reagents; | |
free cell extract of Rhodotorula rubra (ATCC 889) In Tris-HCl buffer pH=8.5; Kinetics; Enzymatic reaction; |
IUPAC Name: (E)-3-(4-Hydroxyphenyl)prop-2-enoic acid
Synonyms of 4-Coumaric acid (CAS NO.7400-08-0): 3-(4-Hydroxyphenyl)-2-propenoic acid ; 4-Hydroxycinnamic acid ; Hydroxycinnamic acid ; beta-(4-Hydroxyphenyl)acrylic acid ; p-Hydroxyphenylacrylic acid ; 2-Propenoic acid, 3-(4-hydroxyphenyl)-
CAS NO: 7400-08-0
Molecular Formula: C9H8O3
Molecular Weight: 164.16
Molecular Structure:
EINECS: 231-000-0
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.66
Molar Refractivity: 45.58 cm3
Molar Volume: 123.4 cm3
Surface Tension: 62.4 dyne/cm
Density: 1.329 g/cm3
Flash Point: 177.3 °C
Enthalpy of Vaporization: 62.28 kJ/mol
Boiling Point: 346.1 °C at 760 mmHg
Vapour Pressure: 2.24E-05 mmHg at 25°C
Melting point: 212-214°C
Appearance: Light yellow to beige crystalline powder
SMILES: O=C(O)/C=C/c1ccc(O)cc1
InChI: InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey: NGSWKAQJJWESNS-ZZXKWVIFBJ
Std. InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Std. InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N
Product Categories of 4-Coumaric acid (CAS NO.7400-08-0): Cinnamic acid
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 657mg/kg (657mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. |
Reported in EPA TSCA Inventory.
Safety Information of 4-Coumaric acid (CAS NO.7400-08-0):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-22
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 2
RTECS: GD9095000
Moderately toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes. See also COUMARIN
Stability and Reactivity :
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.
First Aid Measures:
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician: Treat symptomatically and supportively.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.