p-Hydroxybenzoic acid - Standard for GC, ≥99.5%(GC) , CAS No.99-96-7

CAS: 99-96-7 Cat. No.: H108509 Formula: C₇H₆O₃ Molecular Weight: 138.12 Beilstein Registry Number: 970950 EC Number: 202-804-9

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

4-HYDROXYBENZOIC ACID [INCI] | BIDD:ER0706 | Benzoic acid, p-hydroxy | p-Oxybenzoesaure [German] | SALICYLIC ACID IMPURITY A (EP IMPURITY) | 4-HYDROXYBENZOIC ACID [FHFI] | 4-Hydroxybenzoic acid, ReagentPlus(R), 99% | 4-Carboxyphenol | 4-HBA | 4-HYDROXYBEN

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

4-Hydroxybenzoic acid is an aromatic carboxylic acid commonly used as a building block in various organic reactions, such as in the synthesis of liquid crystals and parabens. It is also utilized in esterification reactions for synthesizing aromatic oligomers. 
Application
4-Hydroxybenzoic acid can be used as a reactant to synthesize:
Monoesters via esterification with sucrose.
Thermotropic liquid crystalline polymers.
4-Hydroxybenzaldoxime via one-pot chemoenzymatic method.

Specifications

Synonyms

4-HYDROXYBENZOIC ACID [INCI] | BIDD:ER0706 | Benzoic acid, p-hydroxy | p-Oxybenzoesaure [German] | SALICYLIC ACID IMPURITY A (EP IMPURITY) | 4-HYDROXYBENZOIC ACID [FHFI] | 4-Hydroxybenzoic acid, ReagentPlus(R), 99% | 4-Carboxyphenol | 4-HBA | 4-HYDROXYBEN

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

504750356

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750356

Canonical Smiles

C1=CC(=CC=C1C(=O)O)O

IUPAC Name

4-hydroxybenzoic acid

InChIKey

FJKROLUGYXJWQN-UHFFFAOYSA-N

INCHI

1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)O

WGK Germany

1

RTECS

DH1925000

Molecular Weight

138.12

Beilstein

970950

Reaxy-Rn

970950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: monohydroxybenzoic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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NEU3 Tchem Sialidase 3 (398 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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TPMT Tchem Thiopurine S-methyltransferase (45 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Homo sapiens (32628 Activities)

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HT-1080 (3966 Activities)

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LoVo (4724 Activities)

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N9 (414 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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SK-MEL-28 (48833 Activities)

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A549 (127892 Activities)

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HUVEC (11049 Activities)

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KB (17409 Activities)

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HeLa (62764 Activities)

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TLR2 Tchem Toll-like receptor 2 (975 Activities)

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AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (300 Activities)

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SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

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UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Carbonic anhydrase (69 Activities)

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Ralstonia solanacearum (520 Activities)

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Agrobacterium tumefaciens (620 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus flavus (8875 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Sorghum halepense (127 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Penicillium chrysogenum (1593 Activities)

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Plasmodium falciparum (966862 Activities)

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Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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RAW264.7 (28094 Activities)

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BV-2 (3710 Activities)

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HT-22 (3261 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Ambrosia artemisiifolia (23 Activities)

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Chenopodium album (769 Activities)

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Convolvulaceae (72 Activities)

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Cornus florida (18 Activities)

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Curtobacterium flaccumfaciens (19 Activities)

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Datura stramonium (35 Activities)

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Helicoverpa zea (137 Activities)

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Malassezia furfur (70 Activities)

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Nasturtium officinale (18 Activities)

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Pectobacterium carotovorum (295 Activities)

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Senna obtusifolia (31 Activities)

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Sida spinosa (38 Activities)

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Sorghum (6 Activities)

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Heterodera zeae (651 Activities)

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Colletotrichum acutatum (300 Activities)

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Hylobius abietis (106 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Ether and Acetone
• Sensitivity: Light sensitive.
• Flash Point(°C): 199℃
• Melt Point(°C): 214-217°C
• Molecular Weight: 138.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.5% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What does Standard for GC mean?

Standard for GC indicates that the chemical has been purified and tested specifically for use in gas chromatography. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. Standard for GC is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 99-96-7, the molecular formula is C7H6O3, and the molecular weight is 138.12 g/mol. InChIKey FJKROLUGYXJWQN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.