Record Information
Version1.0
Creation date2015-10-09 22:29:27 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000252
FoodDB RecordFDB001037
Chemical Information
Name4-Aminobenzoic acid
Descriptionp-Aminobenzoic acid, also known as PABA or p-aminobenzoate, belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. p-Aminobenzoic acid is a moderately basic compound (based on its pKa). p-Aminobenzoic acid exists in all living species, ranging from bacteria to humans. Outside of the human body, p-Aminobenzoic acid is found, on average, in the highest concentration within pineapples. p-Aminobenzoic acid has also been detected, but not quantified in, milk (cow) and rices. This could make p-aminobenzoic acid a potential biomarker for the consumption of these foods. An aminobenzoic acid in which the amino group is para to the carboxy group.
CAS Number150-13-0
Structure
Thumb
Synonyms
SynonymSource
«gamma»-aminobenzoic acidbiospider
1-Amino-4-carboxybenzenebiospider
4-amino-BenzoateGenerator
4-AMINO-BENZOIC ACIDbiospider
4-Aminobenzoatebiospider
4-AminobenzoesaeureChEBI
4-Carboxyanilinebiospider
4-Carboxyphenylaminebiospider
ABEEbiospider
Acido p-aminobenzoicobiospider
Acidum paraminobenzoicumbiospider
Actipolbiospider
Ambenbiospider
Aminobenzoatebiospider
Aminobenzoate acidbiospider
Aminobenzoic acidbiospider
Aminobenzoic acid (usp)biospider
Aminobenzoic acid, parabiospider
Aminobenzoic acid, USANdb_source
Aniline-4-carboxylatebiospider
Aniline-4-carboxylic acidbiospider
Anti-chromotrichia factorbiospider
Anticanitic vitaminbiospider
Anticantic vitaminbiospider
Antichromotrichia factorbiospider
Bacterial vitamin H1biospider
Benzoic acid, 4-aminobiospider
Benzoic acid, 4-amino-biospider
Benzoic acid, p-amino-biospider
Chromotrichia factorbiospider
g-AminobenzoateGenerator
g-Aminobenzoic acidGenerator
Gamma-aminobenzoatebiospider
Gamma-aminobenzoic acidbiospider
Hacheminabiospider
Kyselina P-aminobenzoovaHMDB
M-aminobenzonitrilebiospider
P-amino-benzoatebiospider
P-amino-benzoic acidbiospider
P-aminobenzoatebiospider
P-AminobenzoesaeureChEBI
P-aminobenzoic acidbiospider
P-carboxyanilinebiospider
P-carboxyphenylaminebiospider
PABbiospider
PABAdb_source
Pabacydbiospider
Pabafilmbiospider
Pabagelbiospider
Pabaminebiospider
Pabanolbiospider
Papacidumbiospider
Para-aminobenzoatebiospider
Para-aminobenzoic acidbiospider
Paraminolbiospider
Paranatebiospider
Potababiospider
Romavitbiospider
Rvpababiospider
Rvpaba lipstickbiospider
Rvpaba lipstick (TN)biospider
Sodium Aminobenzoate (4-Aminobenzoic Acid)biospider
Sunbrellabiospider
Super shade BY coppertonebiospider
Trichochromogenic factorbiospider
Trochromogenic factorbiospider
Vitamin BXbiospider
Vitamin H'db_source
γ-aminobenzoateGenerator
γ-aminobenzoic acidGenerator
Chemical FormulaC7H7NO2
IUPAC name4-aminobenzoic acid
InChI IdentifierInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChI KeyALYNCZNDIQEVRV-UHFFFAOYSA-N
Isomeric SMILESNC1=CC=C(C=C1)C(O)=O
Average Molecular Weight137.136
Monoisotopic Molecular Weight137.047678473
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents
Substituents
  • Aminobenzoic acid
  • Benzoic acid
  • Benzoyl
  • Aniline or substituted anilines
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.83HANSCH,C ET AL. (1995)
Experimental Water Solubility6.11 mg/mL at 30 oCYALKOWSKY,SH & HE,Y (2003)
Melting PointMp 188-188.5°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 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 F369
AKSci J90095
Glentham GM6679
Glentham GM2145
MetaSci HMDB0001392
Sigma-Aldrich HMDB0001392
Toronto Research Chemicals A591500