Record Information
Version1.0
Creation date2015-10-09 22:29:48 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000308
FoodDB RecordFDB012331
Chemical Information
Name2-Hydroxyphenylacetic acid
Descriptionortho-Hydroxyphenylacetic acid is a substrate of the enzyme oxidoreductases [EC 1.14.13.-] in the pathway styrene degradation. (KEGG) [HMDB]. 2-Hydroxyphenylacetic acid is found in many foods, some of which are rambutan, common oregano, burbot, and wild leek.
CAS Number614-75-5
Structure
Thumb
Synonyms
SynonymSource
(2-Hydroxyphenyl)acetateHMDB
(2-Hydroxyphenyl)acetic acidHMDB
(O-Hydroxyphenyl)-acetateHMDB
(O-Hydroxyphenyl)-acetic acidHMDB
(O-Hydroxyphenyl)acetateGenerator
(O-Hydroxyphenyl)acetic acidChEBI
2-HPAAHMDB
2-HydroxybenzeneacetateGenerator
2-Hydroxybenzeneacetic acidChEBI
2-Hydroxybenzeneacetic acid, 9CIdb_source
2-HydroxyphenylacetateGenerator
2'-HydroxyphenylacetateGenerator
2'-Hydroxyphenylacetic acidChEBI
HydroxyphenylacetateHMDB
Hydroxyphenylacetic acidHMDB
o-Hydroxy-a-toluic aciddb_source
O-HydroxyphenylacetateGenerator
O-Hydroxyphenylacetic acidChEBI
Chemical FormulaC8H8O3
IUPAC name2-(2-hydroxyphenyl)acetic acid
InChI IdentifierInChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChI KeyCCVYRRGZDBSHFU-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CC1=CC=CC=C1O
Average Molecular Weight152.1473
Monoisotopic Molecular Weight152.047344122
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2(hydroxyphenyl)acetic acids. These are phenylacetic acids that carry a hydroxyl group at the 2-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylacetic acids
Direct Parent2(hydroxyphenyl)acetic acids
Alternative Parents
Substituents
  • 2(hydroxyphenyl)acetic acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
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 1 g
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 A055
AKSci J92449
MetaSci HMDB0000669
Sigma-Aldrich HMDB0000669
Toronto Research Chemicals H949065