8.21814

4-Hydroxybenzoic acid

for synthesis

• Synonym(s): 4-Hydroxybenzoic acid
• Linear Formula: 4-(OH)C₆H₄COOH
• CAS Number: 99-96-7
• Molecular Weight: 138.12
• UNSPSC Code: 12352106
• EC Index Number: 202-804-9
• NACRES: NA.22
• MDL number: MFCD00002547
• Assay: ≥98.0% (HPLC)

Properties

• Quality Segment: 200
• assay: ≥98.0% (HPLC)
• autoignition temp.: >250 °C
• potency: >5000 mg/kg LD₅₀, oral (Rat)
• pH: 3.3 (20 °C, 1 g/L in H₂O)
• mp: 213-216 °C
• solubility: 5 g/L
• bulk density: 600 kg/m³
• storage temp.: 2-30°C
• SMILES string: Oc1ccc(cc1)C(=O)O
• InChI: 1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
• InChI key: FJKROLUGYXJWQN-UHFFFAOYSA-N

Description

Application

• Production and Applications of Hydroxy Acids: This study discusses the synthesis of hydroxy acids including 4-hydroxybenzoic acid, focusing on enzymatic routes which are pivotal for drug discovery due to their application in creating more efficient and environmentally friendly production methods (Bhalla et al., 2014).
• Microbial Synthesis from Renewable Feedstocks: Highlights microbial production methods for 4-hydroxybenzoic acid from renewable feedstocks, crucial for sustainable chemical synthesis in pharmaceuticals and material science (Chen et al., 2021).
• Laccase-mediated Oligomerization: Explores the enzymatic oligomerization of 4-hydroxybenzoic acid which could lead to new materials with improved stability and functionality, useful in material science and drug delivery systems (Slagman et al., 2016).
• Antiviral Properties: Discusses the potential of 4-hydroxybenzoic acid derived from the autooxidation of catechinic acid as an antiviral agent against Herpes Simplex Virus, offering potential applications in drug development (Alfei et al., 2022).
• Soil Microbial Community Impact: Investigates the effect of 4-hydroxybenzoic acid on grape soil microbial communities, emphasizing its potential environmental impact and applications in sustainable agriculture and academic studies (Guo et al., 2015).

Analysis Note

Assay (HPLC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 214 °C
Melting range (upper value): ≤ 217 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• pcodes: P261 - P271 - P280 - P304 + P340 + P312 - P305 + P351 + P338 - P403 + P233
• Hazard Classifications: Eye Dam. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• hcodes: H318,H335