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trans-p-Methoxycinnamic acid (PC000839)

Record Information
Version1.0
Creation date2015-10-09 22:33:01 UTC
Update date2017-01-19 02:36:38 UTC
FoodComEx IDPC000839
FoodDB RecordFDB002667
Chemical Information
Nametrans-p-Methoxycinnamic acid
DescriptionEsters of p-methoxycinnamic acid are among the popular UV-B screening compounds used in various cosmetic formulations in sunscreen products. trans-p-Methoxycinnamic acid is found in wild celery and turmeric.
CAS Number830-09-1
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2E)-3-(4-Methoxyphenyl)-2-propenoic acidbiospider
(2E)-3-(4-methoxyphenyl)prop-2-enoic acidbiospider
(E)-3-(4-Methoxy-phenyl)-acrylic acidbiospider
(E)-3-(4-Methoxyphenyl)acrylatebiospider
(E)-3-(4-Methoxyphenyl)acrylic acidbiospider
(E)-p-Methoxycinnamic acidbiospider
3-(4-Methoxy-phenyl)-acrylatebiospider
3-(4-Methoxy-phenyl)-acrylic acidbiospider
3-(4-Methoxyphenyl)-2-propenoatebiospider
3-(4-Methoxyphenyl)-2-propenoic acidHMDB
3-(4-Methoxyphenyl)-2-propenoic acid, 9CIdb_source
3-(4-Methoxyphenyl)acrylateGenerator
3-(4-methoxyphenyl)acrylic acidbiospider
3-(4-methoxyphenyl)prop-2-enoic acidbiospider
4-Methoxy cinnamatebiospider
4-Methoxy cinnamic acidbiospider
4-Methoxycinnamatebiospider
4-Methoxycinnamic acidbiospider
O-Methyl-p-coumaratebiospider
O-Methyl-p-coumaric acidbiospider
p-Hydroxy methyl cinnamatebiospider
P-Methoxy ciannamateHMDB
P-Methoxy ciannamic acidHMDB
p-Methoxycinnamatebiospider
p-Methoxycinnamic aciddb_source
para-Methoxycinnamatebiospider
para-Methoxycinnamic acidbiospider
trans-2-Propenoic acid, 3-(4-methoxyphenyl)-biospider
trans-3-(4-Methoxyphenyl)acrylic acidbiospider
trans-4-Methoxycinnamatebiospider
trans-4-Methoxycinnamic acidbiospider
trans-p-Methoxycinnamic acidmanual
Chemical FormulaC10H10O3
IUPAC name(2E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI IdentifierInChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI KeyAFDXODALSZRGIH-QPJJXVBHSA-N
Isomeric SMILESCOC1=CC=C(\C=C\C(O)=O)C=C1
Average Molecular Weight178.1846
Monoisotopic Molecular Weight178.062994186
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassCinnamic acids
Direct ParentCinnamic acids
Alternative Parents
Substituents
  • Cinnamic acid
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Styrene
  • Phenol ether
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP2.68HANSCH,C ET AL. (1995)
Experimental Water Solubility1.97 mg/mL at 25 oCSTEPHEN,H & STEPHEN,T (1963)
Melting PointMp 188-189.5° (174°)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci A180
AKSci J91751