caffeic acid
3-(3,4-dihydroxyphenyl)acrylic acid
 
Notes:
provides protection against genotoxicity of dmba. Caffeic acid is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food. (PMID:16870009) [HMDB]
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      03-00500 CAFFEIC ACID
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3-(3,4-dihydroxyphenyl)prop-2-enoic acid (Click)
CAS Number: 331-39-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 206-361-2
FDA UNII: U2S3A33KVM
Nikkaji Web: J1.524E
Beilstein Number: 2210883
MDL: MFCD00004392
XlogP3: 1.20 (est)
Molecular Weight: 180.15956000
Formula: C9 H8 O4
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: cosmetic agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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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)
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antioxidants
masking agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Caffeic acid >98%
Odor: characteristic
Use: Caffeic acid is a hydroxycinnamic acid, a naturally occurring organic compound.
Changzhou Longo Chemical
Cichoric Acid
Coompo
For experimental / research use only.
Caffeic Acid from Plants ≥95%
EMD Millipore
For experimental / research use only.
Caffeic Acid
ExtraSynthese
For experimental / research use only.
Caffeic acid (HPLC) ≥90%
Penta International
CAFFEIC ACID, NATURAL
Penta International
CAFFEIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
Caffeic Acid ≥99%
Sigma-Aldrich: Sigma
For experimental / research use only.
Caffeic Acid ≥98.0% (HPLC)
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50  > 721 mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

intraperitoneal-rat LDLo  1500 mg/kg
Toxicology and Applied Pharmacology. Vol. 36, Pg. 227, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: cosmetic agents
Recommendation for caffeic acid usage levels up to:
 not for fragrance use.
 
Recommendation for caffeic acid flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
ClinicalTrials.gov: search
Daily Med: search
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
Carcinogenic Potency Database: Search
EPA GENetic TOXicology: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 2518
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Chemidplus: 0000331395
EPA/NOAA CAMEO: hazardous materials
RTECS: GD8950000 for cas# 331-39-5
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References:
 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 331-39-5
Pubchem (cid): 2518
Pubchem (sid): 134973965
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
Golm Metabolome Database: Search
KEGG (GenomeNet): C01481
HMDB (The Human Metabolome Database): HMDB01964
FooDB: FDB002558
YMDB (Yeast Metabolome Database): YMDB01645
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
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PbMd  Search  PMC Picture
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 onion root
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 orange fruit juice
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 oregano shoot
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 parsley stem
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 pea plant
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 peach leaf
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 peanut seed
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 pepper black pepper seed
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 peppermint shoot
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 pineapple fruit
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 plum plant
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 pomegranate fruit juice
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 pomegranate leaf
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 pomegranate plant
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 poppy opium poppy leaf
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 poppy opium poppy pericarp
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 potato flower
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 potato root bark
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 potato sweet potato root
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 potato tuber
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 radish root
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 raspberry red raspberry fruit
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 raspberry red raspberry plant
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 rhubarb plant
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 rosemary plant
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 rosemary shoot
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 sage inflorescence
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 sage shoot
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 savory winter savory shoot
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 sesame fruit
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 sesame leaf
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 sesame seed
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 soursop plant
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 soybean seed
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 spinach leaf
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 spinach shoot
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 sunflower pollen
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 sunflower seed
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 tarragon leaf
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 tarragon shoot
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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)-
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Articles:
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.
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