Record Information
Version1.0
Creation date2018-04-10 11:54:40 UTC
Update date2018-04-27 10:32:41 UTC
FoodComEx IDPC001083
FoodDB RecordFDB010507
Chemical Information
Name3-Hydroxybenzoic acid
DescriptionProduced in the gut microflora as one of the three main metabolites formed from the catechin diet. 3-Hydroxybenzoic acid is found in many foods, some of which are corn, bilberry, citrus, and beer.
CAS Number99-06-9
Structure
Thumb
Synonyms
SynonymSource
3-Carboxyphenolbiospider
3-hydroxy benzoatebiospider
3-hydroxy benzoic acidbiospider
3-Hydroxybenzoatebiospider
3pcbbiospider
7720-19-6 (mono-hydrochloride salt)biospider
Acido m-idrossibenzoicobiospider
Benzoic acid, 3-hydroxy-biospider
Benzoic acid, m-hydroxy-biospider
BEZbiospider
Kyselina 3-hydroxybenzoovaHMDB
M-hbabiospider
M-hydroxybenzoatebiospider
M-hydroxybenzoic acidbiospider
M-salicylatebiospider
M-salicylic acidbiospider
Meta-hydroxybenzoatebiospider
Meta-hydroxybenzoic acidbiospider
Chemical FormulaC7H6O3
IUPAC name3-hydroxybenzoic acid
InChI IdentifierInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChI KeyIJFXRHURBJZNAO-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC(O)=CC=C1
Average Molecular Weight138.122
Monoisotopic Molecular Weight138.031694053
Chemical Taxonomy
ClassPolyphenols
FamilyHydroxybenzoic acids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.50HANSCH,C ET AL. (1995)
Experimental Water Solubility7.25 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 202°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
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>98%
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 F468
AKSci J92724
MetaSci HMDB0002466
Sigma-Aldrich HMDB0002466
Toronto Research Chemicals S088105