Record Information
Version1.0
Creation date2018-04-16 12:28:21 UTC
Update date2018-04-27 10:07:21 UTC
FoodComEx IDPC001132
FoodDB RecordFDB010508
Chemical Information
Name4-Hydroxybenzoic acid
DescriptionPresent in some berries (cranberry, strawberry...), stone fruit (olive) and other food. Metabolite of anthocyanins and flavanones.
CAS Number99-96-7
Structure
Thumb
Synonyms
SynonymSource
4-Carboxyphenolbiospider
4-hydroxy-benzoatebiospider
4-Hydroxy-benzoesaeureHMDB
4-hydroxy-benzoic acidbiospider
4-Hydroxybenzoatebiospider
Benzoic acid, 4-hydroxybiospider
Benzoic acid, 4-hydroxy-biospider
Benzoic acid, p-hydroxybiospider
Benzoic acid, p-hydroxy-biospider
Catalpinic acid (obsol.)db_source
Hydroxybenzenecarboxylic acidbiospider
Hydroxybenzoic acidbiospider
Hydroxybenzoic acid, parabiospider
P-carboxyphenolbiospider
P-hydroxy-benzoatebiospider
P-hydroxy-benzoic acidbiospider
P-hydroxybenzoatebiospider
P-hydroxybenzoic acidbiospider
P-salicyclic acidbiospider
P-salicylatebiospider
p-Salicylic aciddb_source
Para-hydroxybenzoic acidbiospider
Paraben-acidHMDB
Chemical FormulaC7H6O3
IUPAC name4-hydroxybenzoic acid
InChI IdentifierInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChI KeyFJKROLUGYXJWQN-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC=C(O)C=C1
Average Molecular Weight138.122
Monoisotopic Molecular Weight138.031694053
Chemical Taxonomy
ClassPolyphenols
FamilyHydroxybenzoic acids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.58HANSCH,C ET AL. (1995)
Experimental Water Solubility5 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 213-214°DFC
Foods of Origin
Cranberry, strawberry, olive, carrot, ...
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
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 D775
AKSci J10748
AKSci J92723
Human Metabolome Library HMDB0000500
MetaSci HMDB0000500
Toronto Research Chemicals S088120