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phenethyl caffeate
2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester


Name:2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number: 104594-70-9Picture of molecule3D/inchi
XlogP3:4.20 (est)
Molecular Weight:284.31132000
Formula:C17 H16 O4
NMR Predictor:Predict (works with chrome or firefox)
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance:white solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 498.57 °C. @ 760.00 mm Hg (est)
Flash Point: 365.00 °F. TCC ( 185.10 °C. ) (est)
logP (o/w): 3.734 (est)
Soluble in:
 dimethyl sulfoxide
 water, 48.91 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antioxidants
BOC Sciences
For experimental / research use only.
Caffeic acid phenethyl ester (CAPE) (HPLC): Not less than
Odor: characteristic
Use: A natural phenolic compound from honeybee hives; demonstrated anti-carcinogenic, anti-bacterial, and antiinflammatory properties
EMD Millipore
For experimental / research use only.
Jiangyin Healthway
Caffeic acid phenethyl ester
New functional food ingredients
Jiangyin Healthway
Phenethyl Caffeate
Santa Cruz Biotechnology
For experimental / research use only.
Caffeic Acid Phenethyl Ester ≥98%
Sigma-Aldrich: Sigma
For experimental / research use only.
Caffeic acid phenethyl ester ≥97% (HPLC), powder
For experimental / research use only.
Phenethyl Caffeate >98.0%(HPLC)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
Category: antioxidants
Recommendation for phenethyl caffeate usage levels up to:
 not for fragrance use.
Recommendation for phenethyl caffeate flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108042
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
RTECS:UD3334375 for cas# 104594-70-9
 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):108042
Pubchem (sid):44436947
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
RSC Learn Chemistry:View
•subtilisin a (prod code p5380) is supplied as a powder, essentially free of buffer salts. •alcalase 2.4l (prod code p4860) is supplied as an aqueous solution.
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 found in nature
 caffeic acid 2-phenylethyl ester
 caffeic acid phenethyl ester
3-(3,4-dihydroxy-phenyl)-acrylic acid phenethyl ester
 phenethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
2-phenyl ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
 phenyl ethyl caffeate
2-phenylethyl 3-(3,4-dihydroxyphenyl)acrylate
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
 phenylethyl caffeate
2-phenylethyl caffeate
2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester


PubMed:Propolis from northern California and Oregon: chemical composition, botanical origin, and content of allergens.
PubMed:Discovery of bile salt hydrolase inhibitors using an efficient high-throughput screening system.
PubMed:Phenethyl caffeate benzoxanthene lignan is a derivative of caffeic acid phenethyl ester that induces bystander autophagy in WiDr cells.
PubMed:High-throughput chemical screens identify disulfiram as an inhibitor of human glioblastoma stem cells.
PubMed:Phenethyl caffeate benzo[kl]xanthene lignan with DNA interacting properties induces DNA damage and apoptosis in colon cancer cells.
PubMed:In vitro antitrypanosomal activity of some phenolic compounds from propolis and lactones from Fijian Kawa (Piper methysticum).
PubMed:Inhibitory effects of caffeic acid ester analogues on free radicals and human liver microsome CYP1A2 activities.
PubMed:p52-Bcl3 complex promotes cyclin D1 expression in BEAS-2B cells in response to low concentration arsenite.
PubMed:Selective analysis of phenolic compounds in propolis by HPLC-MS/MS.
PubMed:A new amide from Thyrocarpus glochidiatus.
PubMed:Allergic contact dermatitis from propolis.
PubMed:Evaluation of the main contact allergens in propolis (1995 to 2005).
PubMed:Chlorogenate hydrolase-catalyzed synthesis of hydroxycinnamic acid ester derivatives by transesterification, substitution of bromine, and condensation reactions.
PubMed:Antioxidant activity and constituents of propolis collected in various areas of Korea.
PubMed:Constituents of Chinese propolis and their antiproliferative activities.
PubMed:Inhibitory effect of caffeic acid esters on azoxymethane-induced biochemical changes and aberrant crypt foci formation in rat colon.
PubMed:Effect of caffeic acid esters on carcinogen-induced mutagenicity and human colon adenocarcinoma cell growth.
PubMed:Propolis allergy (IV). Studies with further sensitizers from propolis and constituents common to propolis, poplar buds and balsam of Peru.
PubMed:Propolis allergy. (III). Sensitization studies with minor constituents.
None found
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