Record Information
Version1.0
Creation date2015-10-09 22:29:12 UTC
Update date2017-01-19 02:36:16 UTC
FoodComEx IDPC000205
FoodDB RecordFDB001783
Chemical Information
Name3-Methoxy-4-hydroxyphenylacetic acid
DescriptionHomovanillic acid is a major catecholamine metabolite. 3-Methoxy-4-hydroxyphenylacetic acid is found in beer, olive, and avocado.
CAS Number306-08-1
Structure
Thumb
Synonyms
SynonymSource
(4-Hydroxy-3-methoxyphenyl)acetatebiospider
(4-Hydroxy-3-methoxyphenyl)acetic acidbiospider
3-Methoxy-4-hydroxy-phenylacetic acidbiospider
3-Methoxy-4-hydroxyphenylacetatebiospider
4-Hydroxy-3-methoxybenzeneacetatebiospider
4-Hydroxy-3-methoxybenzeneacetic acidbiospider
4-Hydroxy-3-methoxyphenylacetic acidbiospider
HMPAbiospider
Homovanilatebiospider
Homovanilic acidbiospider
Homovanillatebiospider
Homovanillic acidbiospider
Homovanillinic acidbiospider
HVAbiospider
Vanilacetatebiospider
Vanilacetic acidbiospider
Vanillacetic acidbiospider
Chemical FormulaC9H10O4
IUPAC name2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI IdentifierInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChI KeyQRMZSPFSDQBLIX-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC(CC(O)=O)=CC=C1O
Average Molecular Weight182.1733
Monoisotopic Molecular Weight182.057908808
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative Parents
Substituents
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.33LAHANN,TR ET AL. (1989)
Experimental Water SolubilityNot Available
Melting Point138-140 oC
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 500 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 E679
AKSci J11000
AKSci J40038
AKSci J94170
MetaSci HMDB0000118
Tokyo Chemical Industry HMDB0000118
Toronto Research Chemicals H669500