trans-Caffeic Acid

Basic Information

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CAS Number

501-16-6

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

211-213 °C (dec.)

Boiling Point

416.8 °C at 760 mmHg

Density

1.478

Flash Point

220 °C

Solubility

ethanol: 50 mg/mL

SMILES

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C1=CC(=C(C=C1C=CC(=O)O)O)O

InChI

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

InChIKey

QAIPRVGONGVQAS-DUXPYHPUSA-N

LogP

log Kow = 1.15

Complexity

212

Safety Information

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Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

C01197
SW197202-3
3-(3,4-dihydroxyphenyl)acrylic acid
NCGC00017364-22
AMY3943
Caffeic acid, United States Pharmacopeia (USP) Reference Standard
SR-01000000203-8
3,4-Dihydroxycinnamic acid, predominantly trans
NCGC00017364-08
2-Morpholin-4-yl-isonicotinicacidhydrochloride
MLS006011849
8B3E4DA7-F3B0-4972-A315-2E387071737F
BIDD:ER0456
3,4-Dihydroxycinnamate, XVII
4-(2'Carboxyvinyl)-1,2-dihydroxybenzene
NCGC00017364-11
DTXCID10231
Caffeic Acid,(S)
2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-
HY-121231
2-Propenoic acid,4-dihydroxyphenyl)-
HMS3649O17
(E)-3,4-dihydroxycinnamic acid
Caffeic acid, trans-
NCGC00017364-09
3,4-Dihydroxybenzeneacrylic acid
UNII-U2S3A33KVM
CHEBI:16433
4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
CAFFEIC ACID (IARC)
Trans 3,4-Dihydroxycinnamic acid

MDL Number

MFCD00004392

Customs Code

2918290000

FAQ

What is trans-Caffeic Acid (CAS: 501-16-6)?

Trans-Caffeic Acid (CAS: 501-16-6) is a phenolic compound with the chemical formula C9H8O4. It is characterized by its hydroxycinnamic acid structure and is commonly found in plants. This compound has a pungent odor and is often used in the food, pharmaceutical, and research industries due to its antioxidant and anti-inflammatory properties.

What are the main uses of trans-Caffeic Acid (CAS: 501-16-6)?

Trans-Caffeic Acid (CAS: 501-16-6) is widely used in the pharmaceutical industry as an antioxidant and anti-inflammatory agent. It is also applied in the food industry as a preservative and flavor enhancer. Additionally, it is used in research for its potential in cancer treatment and as a precursor in the synthesis of other organic compounds.

Is trans-Caffeic Acid (CAS: 501-16-6) safe?

Trans-Caffeic Acid (CAS: 501-16-6) is generally considered safe when used in appropriate concentrations. However, it is important to follow safety guidelines and wear protective equipment such as gloves and goggles when handling the compound. Exposure to high concentrations should be avoided to prevent skin irritation and other potential health risks.

How should trans-Caffeic Acid (CAS: 501-16-6) be stored?

Trans-Caffeic Acid (CAS: 501-16-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in tightly sealed containers to protect it from moisture and air. The storage temperature should not exceed 25°C to maintain its stability and effectiveness. Proper ventilation is also necessary to avoid the formation of harmful gases during storage.