Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:29:27 UTC |
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Update date | 2017-01-19 02:36:18 UTC |
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FoodComEx ID | PC000252 |
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FoodDB Record | FDB001037 |
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Chemical Information |
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Name | 4-Aminobenzoic acid |
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Description | p-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. |
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CAS Number | 150-13-0 |
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Structure | |
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Synonyms | Synonym | Source |
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«gamma»-aminobenzoic acid | biospider | 1-Amino-4-carboxybenzene | biospider | 4-amino-Benzoate | Generator | 4-AMINO-BENZOIC ACID | biospider | 4-Aminobenzoate | biospider | 4-Aminobenzoesaeure | ChEBI | 4-Carboxyaniline | biospider | 4-Carboxyphenylamine | biospider | ABEE | biospider | Acido p-aminobenzoico | biospider | Acidum paraminobenzoicum | biospider | Actipol | biospider | Amben | biospider | Aminobenzoate | biospider | Aminobenzoate acid | biospider | Aminobenzoic acid | biospider | Aminobenzoic acid (usp) | biospider | Aminobenzoic acid, para | biospider | Aminobenzoic acid, USAN | db_source | Aniline-4-carboxylate | biospider | Aniline-4-carboxylic acid | biospider | Anti-chromotrichia factor | biospider | Anticanitic vitamin | biospider | Anticantic vitamin | biospider | Antichromotrichia factor | biospider | Bacterial vitamin H1 | biospider | Benzoic acid, 4-amino | biospider | Benzoic acid, 4-amino- | biospider | Benzoic acid, p-amino- | biospider | Chromotrichia factor | biospider | g-Aminobenzoate | Generator | g-Aminobenzoic acid | Generator | Gamma-aminobenzoate | biospider | Gamma-aminobenzoic acid | biospider | Hachemina | biospider | Kyselina P-aminobenzoova | HMDB | M-aminobenzonitrile | biospider | P-amino-benzoate | biospider | P-amino-benzoic acid | biospider | P-aminobenzoate | biospider | P-Aminobenzoesaeure | ChEBI | P-aminobenzoic acid | biospider | P-carboxyaniline | biospider | P-carboxyphenylamine | biospider | PAB | biospider | PABA | db_source | Pabacyd | biospider | Pabafilm | biospider | Pabagel | biospider | Pabamine | biospider | Pabanol | biospider | Papacidum | biospider | Para-aminobenzoate | biospider | Para-aminobenzoic acid | biospider | Paraminol | biospider | Paranate | biospider | Potaba | biospider | Romavit | biospider | Rvpaba | biospider | Rvpaba lipstick | biospider | Rvpaba lipstick (TN) | biospider | Sodium Aminobenzoate (4-Aminobenzoic Acid) | biospider | Sunbrella | biospider | Super shade BY coppertone | biospider | Trichochromogenic factor | biospider | Trochromogenic factor | biospider | Vitamin BX | biospider | Vitamin H' | db_source | γ-aminobenzoate | Generator | γ-aminobenzoic acid | Generator |
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Chemical Formula | C7H7NO2 |
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IUPAC name | 4-aminobenzoic acid |
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InChI Identifier | InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) |
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InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
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Isomeric SMILES | NC1=CC=C(C=C1)C(O)=O |
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Average Molecular Weight | 137.136 |
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Monoisotopic Molecular Weight | 137.047678473 |
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Aminobenzoic acids |
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Alternative Parents | |
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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
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Physico-Chemical Properties - Experimental |
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Property | Value | Reference |
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Experimental logP | 0.83 | HANSCH,C ET AL. (1995) |
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Experimental Water Solubility | 6.11 mg/mL at 30 oC | YALKOWSKY,SH & HE,Y (2003) |
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Melting Point | Mp 188-188.5° | DFC |
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Foods of Origin |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Production Data |
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Production Method | commercial |
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Production Method Reference | Not Available |
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Production Method Reference File | Not Available |
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Quantity Available | Production upon request, up to 500 mg |
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Delivery Time | Not Available |
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Storage Form | solid |
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Storage Conditions | -80°C |
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Stability | Not Available |
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Purity | Not Available |
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Spectra |
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Spectral Data Upon Request | Not Available |
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Provider Information |
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Commercial Vendors |
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AKSci | F369 |
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AKSci | J90095 |
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Glentham | GM6679 |
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Glentham | GM2145 |
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MetaSci | HMDB0001392 |
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Sigma-Aldrich | HMDB0001392 |
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Toronto Research Chemicals | A591500 |
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