caffeic acid

3-(3,4-dihydroxyphenyl)acrylic acid

CAS: 331-39-5 C9 H8 O4 MW: 180.15956000

Identification

Namecaffeic acid
CAS Number331-39-5
EINECS206-361-2
FDA UNIIU2S3A33KVM
Molecular FormulaC9 H8 O4
Molecular Weight180.15956000
MDL NumberMFCD00004392
Nikkaji NumberJ1.524E
Beilstein2210883
XlogP31.20 (est)

Regulatory

Physical Properties

Appearance yellow crystalline powder (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 194.00 to 198.00 °C. @ 760.00 mm Hg
Boiling Point 416.00 to 417.00 °C. @ 760.00 mm Hg (est)
Flash Point 428.00 °F. TCC ( 220.00 °C. ) (est)
logP (o/w) 1.150
Soluble in water, 5.407e+004 mg/L @ 25 °C (est)

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesantioxidants

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 > 721 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorycosmetic agents
Recommendation for caffeic acid usage levels up tonot for fragrance use.
Recommendation for caffeic acid flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

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Synonyms

cichoric acid 3-(3,4- dihydroxy-phenyl)-acrylic acid 3,4- dihydroxybenzene acrylic acid 3,4- dihydroxybenzeneacrylic acid 3,4- dihydroxycinnamic acid 3-(3,4- dihydroxyphenyl)-2-propenoic acid 3-(3,4- dihydroxyphenyl)acrylic acid 3-(3,4- dihydroxyphenyl)prop-2-enoic acid 2- propenoic acid, 3-(3,4-dihydroxyphenyl)- PubMed: Key Changes in Wine Aroma Active Compounds during Bottle Storage of Spanish Red Wines under Different Oxygen Levels. J-Stage: 3,4-Dihydroxycinnamic Acid Attenuates the Fatigue and Improves Exercise Tolerance in Rats PubMed: Topical anti-inflammatory activity of a monofloral honey of Mimosa scabrella provided by Melipona marginata during winter in southern Brazil. PubMed: Biotransformation of caffeoyl quinic acids from green coffee extracts by Lactobacillus johnsonii NCC 533. PubMed: Microbial production of biovanillin. PubMed: Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egypt. PubMed: Application of multivariate analysis to the effects of additives on chemical and sensory quality of stored coffee brew. PubMed: Formation of strecker aldehydes from polyphenol-derived quinones and alpha-amino acids in a nonenzymic model system. PubMed: Influence of cooking process on phenolic marker compounds of vegetables. PubMed: Researching on new species of "Mate": Ilex brevicuspis: phytochemical and pharmacology study. PubMed: Mutagenic activity of some coffee flavor ingredients.