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ChemicalBook--->CAS DataBase List--->7400-08-0

7400-08-0

7400-08-0 Structure

7400-08-0 Structure
IdentificationMore
[Name]

p-Hydroxy-cinnamic acid
[CAS]

7400-08-0
[Synonyms]

3-(4-HYDROXYPHENYL)ACRYLIC ACID
4-COUMARIC ACID
4-HYDROXYCINNAMIC ACID
AKOS 221-47
AKOS BAR-2479
COUMARIC ACID, TRANS-P-
LABOTEST-BB LT00452637
P-COUMARIC ACID
P-CUMARIC ACID
PHCA
P-HYDROXYCINNAMIC ACID
P-HYDROXYL CINNAMIC ACID
RARECHEM BK HW 0163
TRANS-4-COUMARIC ACID
TRANS-4-HYDROXYCINNAMIC ACID
TRANS-P-COUMARIC ACID
TRANS-P-CUMARIC ACID
(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid
3-(4-Hydroxyphenyl)-2-propenoic acid
3-(4-hydroxyphenyl)-2-propenoicaci
[EINECS(EC#)]

231-000-0
[Molecular Formula]

C9H8O3
[MDL Number]

MFCD00004399
[Molecular Weight]

164.16
[MOL File]

7400-08-0.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow to beige crystalline powder
[Melting point ]

214 °C (dec.)(lit.)
[Boiling point ]

251.61°C (rough estimate)
[density ]

1.2132 (rough estimate)
[refractive index ]

1.5380 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.65±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
[InChIKey]

NGSWKAQJJWESNS-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C=CC1=CC=C(O)C=C1
[LogP]

1.790
[CAS DataBase Reference]

7400-08-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-(4-hydroxyphenyl)-(7400-08-0)
[EPA Substance Registry System]

7400-08-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[WGK Germany ]

2
[RTECS ]

GD9095000
[HS Code ]

2918 29 00
[Safety Profile]

Moderarely toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes. See also COUMARIN
Hazard InformationBack Directory
[Hazard]

Moderately toxic.
[Chemical Properties]

Light yellow to beige crystalline powder
[Uses]

p-Coumaric Acid is the hydroxy derivative of Cinnamic Acid with antioxidant properties. p-Coumaric acid is a is a major component of lignocellulose. Studies suggest that p-Coumaric Acid may reduce the risk of cancer by reducing the formation of carcinogenic nitrosamines.
[Application]

p-Hydroxycinnamic acid is mainly used as an intermediate in the pharmaceutical and perfume industries. It can react with dimethyl sulfate to produce p-anisaldehyde, react with acetaldehyde to produce p-hydroxycinnamaldehyde, and further oxidize it to produce cinnamic acid. This product can be directly oxidized to produce 4-Hydroxybenzoic acid and reduction to produce 4-Hydroxybenzyl alcohol.
[Definition]

ChEBI: A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

p-Hydroxy-cinnamic acid(7400-08-0)MS
p-Hydroxy-cinnamic acid(7400-08-0)IR1
p-Hydroxy-cinnamic acid(7400-08-0)IR2
p-Hydroxy-cinnamic acid(7400-08-0)Raman
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