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331-39-5

331-39-5 Structure

331-39-5 Structure
IdentificationMore
【Name】

Caffeic acid
【CAS】

331-39-5
【Synonyms】

3-(3,4-DIHYDROXYPHENYL)-2-PROPENOIC ACID
3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID
3,4-DIHYDROXYCINNAMIC ACID
AKOS B004050
CAFFEIC ACID
LABOTEST-BB LT00233168
RARECHEM BK HC T335
TIMTEC-BB SBB006475
(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
3-(3,4-dihydroxyphenyl)-2-propenoicaci
3-(3,4-Dihydroxyphenyl)propenoic acid
3,4-Dihydroxybenzeneacrylic acid
3,4-dihydroxybenzeneacrylicacid
3,4-dihydroxy-cinnamicaci
3,4-dihydroxycinnamicacid,predominantlytransisomer
4-(2’-carboxyvinyl)-1,2-dihydroxybenzene
4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
Caffeicacid,96%
【EINECS(EC#)】

206-361-2
【Molecular Formula】

C9H8O4
【MDL Number】

MFCD00004392
【Molecular Weight】

180.16
【MOL File】

331-39-5.mol
Chemical PropertiesBack Directory
【Appearance】

Light yellow to greenish-yellow powder
【mp 】

211-213 °C (dec.)(lit.)
【storage temp. 】

Store at RT.
【solubility 】

ethanol: 50 mg/mL
【form 】

powder
【color 】

yellow to tan
【Stability:】

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
【Water Solubility 】

soluble in hot water
【Merck 】

14,1635
【BRN 】

2210883
【CAS DataBase Reference】

331-39-5(CAS DataBase Reference)
【NIST Chemistry Reference】

Cinnamic acid, 3,4-dihydroxy-(331-39-5)
【EPA Substance Registry System】

331-39-5(EPA Substance)
Safety DataBack Directory
【Hazard Codes 】

Xn,Xi
【Risk Statements 】

R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R63:Possible risk of harm to the unborn child.
R68:Possible risk of irreversible effects.
【Safety Statements 】

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 .
S36:Wear suitable protective clothing .
【WGK Germany 】

3
【RTECS 】

GD8950000
【Hazard Note 】

Irritant
【HS Code 】

29182990
【Hazardous Substances Data】

331-39-5(Hazardous Substances Data)
Hazard InformationBack Directory
【General Description】

Yellow prisms or plates (from chloroform or ligroin) or pale yellow granules. Alkaline solutions turn from yellow to orange.
【Reactivity Profile】

3,4-DIHYDROXYCINNAMIC ACID(331-39-5) is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 3,4-DIHYDROXYCINNAMIC ACID(331-39-5) to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.
【Air & Water Reactions】

Insoluble in water.
【Health Hazard】

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and fumes.
【Fire Hazard】

Flash point data for this chemical are not available; however, 3,4-DIHYDROXYCINNAMIC ACID is probably combustible.
Material Safety Data Sheet(MSDS)Back Directory
【msds information】

Caffeic acid(331-39-5).msds
Spectrum DetailBack Directory
【Spectrum Detail】

Caffeic acid(331-39-5)IR2
Caffeic acid(331-39-5)MS
Caffeic acid(331-39-5)IR1
Caffeic acid(331-39-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
【Acros Organics】

3,4-Dihydroxycinnamic acid, predominantly trans isomer, 99+%(331-39-5)
【Alfa Aesar】

3,4-Dihydroxycinnamic acid, predominantly trans, 99%(331-39-5)
【Sigma Aldrich】

331-39-5(sigmaaldrich)
【TCI AMERICA】

Caffeic Acid,>98.0%(T)(331-39-5)
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