Record Information
Version1.0
Creation date2018-04-16 12:00:53 UTC
Update date2018-04-17 10:31:44 UTC
FoodComEx IDPC001127
FoodDB RecordFDB002558
Chemical Information
NameCaffeic acid
DescriptionCaffeic acid is an hydroxycinnamic acid present in many fruits and herbs. It is also a metabolite of chlorogenic acifd present in large amount in coffee.
CAS Number331-39-5
Structure
Thumb
Synonyms
SynonymSource
3,4-DihydroxybenzeneacrylateHMDB
3,4-Dihydroxybenzeneacrylic acidHMDB
3,4-DihydroxycinnamateGenerator
3,4-Dihydroxycinnamic acidChEBI
3,4-Dihydroxycinnamic acid, 8CIdb_source
CaffeateChEBI
Caffeic aciddb_source
Caffeic acid pureHMDB
CaffeicacidHMDB
cis-CaffeateGenerator
cis-Caffeic acidChEBI
Chemical FormulaC9H8O4
IUPAC name(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI IdentifierInChI=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+
InChI KeyQAIPRVGONGVQAS-DUXPYHPUSA-N
Isomeric SMILESOC(=O)\C=C\C1=CC(O)=C(O)C=C1
Average Molecular Weight180.1574
Monoisotopic Molecular Weight180.042258744
Chemical Taxonomy
ClassPolyphenols
FamilyHydroxycinnamic acids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
Apple, berries, broccoli, carrot, tomato, coffee, ...
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purity>95%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
AKSci A359
AKSci J40037
AKSci J92512
Cayman Chemical 70602
Cayman Chemical HMDB0001964
Glentham GP1593
MetaSci HMDB0001964
Toronto Research Chemicals C080000