EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethyl caffeate
3,4-dihydroxycinnamic acid ethyl ester

Supplier Sponsors

Name:ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number: 102-37-4Picture of molecule3D/inchi
FDA UNII: 76GBB1JU5Y
MDL:MFCD00045754
XlogP3:2.60 (est)
Molecular Weight:208.21344000
Formula:C11 H12 O4
NMR Predictor:Predict (works with chrome, Edge 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
 
Physical Properties:
Appearance:pale to brown solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 376.00 to 378.00 °C. @ 760.00 mm Hg
Flash Point: 299.00 °F. TCC ( 148.33 °C. )
logP (o/w): 2.560
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 982.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: skin conditioning
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Ethyl caffeate 98%
BOC Sciences
For experimental / research use only.
Ethylcaffeate 95%
Dalton Pharma Services
For experimental / research use only.
(E)-Caffeic acid methyl ester >95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl 3,4-dihydroxycinnamate
sds
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
cosmetic agents
Recommendation for ethyl caffeate usage levels up to:
 not for fragrance use.
 
Recommendation for ethyl caffeate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66883
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Chemidplus:0000102374
 
References:
 ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66883
Pubchem (sid):135024258
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
KEGG (GenomeNet):C10484
HMDB (The Human Metabolome Database):Search
FooDB:FDB000243
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 eggplant root
Search Trop Picture
 wine white wine
Search Picture
 
Synonyms:
 caffeic acid ethyl ester
3,4-dihydroxycinnamic acid ethyl ester
3-(3,4-dihydroxyphenyl)-2-propenoic acid ethyl ester
 ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
 ethyl 3,4-dihydroxycinnamate
 

Articles:

PubMed:Alkyl caffeates improve the antioxidant activity, antitumor property and oxidation stability of edible oil.
PubMed:Two new triterpenoids from Gelsemium elegans and Aglaia odorata.
PubMed:[Chemical constituents from the aerial part of Echinacea purpurea].
PubMed:Antileishmanial Phenylpropanoids from the Leaves of Hyptis pectinata (L.) Poit.
PubMed:[Phenylpropanoids and diphenylethene compounds from roots and rhizomes of Smilax scobinicaulis].
PubMed:(E)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from Aristotelia chilensis (Maqui).
PubMed:Phenolic constituents from the roots of Mikania micrantha and their allelopathic effects.
PubMed:A novel chemoenzymatic synthesis of propyl caffeate using lipase-catalyzed transesterification in ionic liquid.
PubMed:Detection of a plant enzyme exhibiting chlorogenate-dependant caffeoyltransferase activity in methanolic extracts of arbuscular mycorrhizal tomato roots.
PubMed:Sesquiterpene lactones from the leaves of Hedyosmum brasiliense (Chloranthaceae).
PubMed:Clerodendranoic acid, a new phenolic acid from Clerodendranthus spicatus.
PubMed:Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
PubMed:A new inositol derivative from Prenanthes macrophylla.
PubMed:Anti-inflammatory and free radial scavenging activities of the constituents isolated from Machilus zuihoensis.
PubMed:Inhibitory effects of caffeic acid ester analogues on free radicals and human liver microsome CYP1A2 activities.
PubMed:[Two new phenolic acids from Drynariae rhizoma].
PubMed:[Flavonoids and phenolic acid derivatives from flos farfarae].
PubMed:Sesquiterpene lactones from Vernonia scorpioides and their in vitro cytotoxicity.
PubMed:[Chemical contituents in leaves of Ehretia thyrsiflora].
PubMed:Ethyl caffeate from Verdicchio wine: chromatographic purification and in vivo evaluation of its antifibrotic activity.
PubMed:Chemical constituents from the aerial parts of Artemisia minor.
PubMed:Two new antioxidant phenylpropanoids from Lindelofia stylosa.
PubMed:Three angiotensin-converting enzyme inhibitors from Rabdosia coetsa.
PubMed:Dispersion behavior of zirconia nanocrystals and their surface functionalization with vinyl group-containing ligands.
PubMed:Drastic effect of several caffeic acid derivatives on the induction of heme oxygenase-1 expression revealed by quantitative real-time RT-PCR.
PubMed:[Studies on chemical constituents of Acroptilon repens].
PubMed:[Studies on chemical constituents of Balanophora spicata].
PubMed:A new amide from Thyrocarpus glochidiatus.
PubMed:[Studies on phenolic compounds from Polygonum aviculane].
PubMed:Ethyl caffeate suppresses NF-kappaB activation and its downstream inflammatory mediators, iNOS, COX-2, and PGE2 in vitro or in mouse skin.
PubMed:Effect of caffeic acid phenethyl ester on proliferation and apoptosis of colorectal cancer cells in vitro.
PubMed:[Studies on the constituents from Sambucus chinese].
PubMed:New prenylated isoflavanones and other constituents of Lespedeza bicolor.
PubMed:[Studies on the phenylpropanoids from Eucommia ulmoides].
PubMed:Effect of ethyl esterification of phenolic acids on low-density lipoprotein oxidation.
PubMed:Inhibitory effects of caffeic acid ethyl ester on H2O2-induced cytotoxicity and DNA single-strand breaks in Chinese hamster V79 cells.
PubMed:Greening pigments produced reaction of ethyl caffeate with methylamine.
 
Notes:
None found
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