Sodium 4-hydroxybenzoate

Base Information

• Chemical Name: Sodium 4-hydroxybenzoate
• CAS No.: 114-63-6
• Deprecated CAS: 178120-64-4,1351865-11-6,1351865-11-6
• Molecular Formula: C7H6NaO3
• Molecular Weight: 160.105
• Hs Code.: 29182900
• European Community (EC) Number: 204-051-1
• UNII: V6102T509B
• ChEMBL ID: CHEMBL1762656
• DSSTox Substance ID: DTXSID3059426
• Metabolomics Workbench ID: 124341
• Wikidata: Q27194146
• Mol file: 114-63-6.mol

Synonyms:Sodium 4-hydroxybenzoate;114-63-6;Sodium p-hydroxybenzoate;4-Hydroxybenzoic acid sodium salt;sodium paraben;Benzoic acid, 4-hydroxy-, monosodium salt;p-Hydroxybenzoic acid sodium salt;Monosodium p-hydroxybenzoate;Monosodium 4-hydroxybenzoate;sodium;4-hydroxybenzoate;p-hydroxybenzoic acid monosodium salt;Benzoic acid, 4-hydroxy-, sodium salt (1:1);MFCD00016530;V6102T509B;CHEMBL1762656;EINECS 204-051-1;C7H5NaO3;UNII-V6102T509B;sodium parahydroxybenzoate;BENZOIC ACID, p-HYDROXY-, SODIUM SALT;4-Hydroxybenzoic acid sodium;SCHEMBL381913;SODIUM PARABEN [INCI];SODIUM4-HYDROXYBENZOATE;DTXSID3059426;CHEBI:113449;SODIUM 4-HYDROXYBENZOIC ACID;AKOS003051801;AKOS015888195;AKOS022190835;CS-W010880;HY-W010164;1ST40175;AS-65704;SY070243;H0221;NS00079031;Sodium 4-hydroxybenzoate, analytical standard;D71249;A894178;BENZOIC ACID, P-HYDROXY-, MONOSODIUM SALT;Q-200480;Q27194146

Chemical Property of Sodium 4-hydroxybenzoate

Chemical Property:

• Appearance/Colour: White to light beige crystalline powder
• Vapor Pressure: 4.48E-05mmHg at 25°C
• Melting Point: > 300 °C(lit.)
• Boiling Point: 336.2 °C at 760 mmHg
• Flash Point: 171.3 °C
• PSA: 60.36000
• Density: 1.375g/cm3
• LogP: -0.24430
• Storage Temp.: Store at RT.
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.01363830
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%, ^*data from raw suppliers

Sodium 4-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])O.[Na+]
• Uses: It is used as a pharmaceutical intermediate.

Technology Process of Sodium 4-hydroxybenzoate

There total 2 articles about Sodium 4-hydroxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

carbon dioxide (124-38-9,18923-20-1) + sodium phenoxide (139-02-6) → sodium salicylate (54-21-7) + sodium 4-hydroxybenzoate (114-63-6)

Guidance literature:

With Triethylene glycol dimethyl ether; at 80 ℃; for 10h; Product distribution; var. polyethers;

DOI:10.1246/bcsj.53.279

Reference yield:

sodium benzoate (532-32-1) → m-hydroxybenzoic acid sodium salt (7720-19-6) + sodium salicylate (54-21-7) + sodium 4-hydroxybenzoate (114-63-6)

Guidance literature:

With phosphate buffer; Saline; 2-Deoxy-D-ribose; dinitrogen monoxide; at 20 - 25 ℃; for 1h; Irradiation; var. OH scavengers;

DOI:10.1248/cpb.41.1842

Reference yield: 88.0%

sodium 4-hydroxybenzoate (114-63-6) + phenol (108-95-2,27073-41-2) → C39H30N3O12P3

Guidance literature:

phenol; With cyclotriphosphazene; sodium carbonate; In tetrahydrofuran; at 70 ℃; for 8h;

sodium 4-hydroxybenzoate; In tetrahydrofuran; for 8h;

With hydrogenchloride; In water; pH=4; Temperature; Time;

upstream raw materials:

carbon dioxide

sodium phenoxide

sodium benzoate

Downstream raw materials:

ethyl 3-bromo-2-ethoxy-2-(4-hydroxybenzoyloxy)propionate

Benzyl 4-hydroxybenzoate

benzyl 4-benzyloxybenzoate

oxovanadium(IV) (benzoate)(4-hydroxybenzoate)

Refernces

• 1、 Motohashi,Saito. "Competitive measurement of rate constants for hydroxyl radical reactions using radiolytic hydroxylation of benzoate". . p. 1842 - 1845. Retrieved 1993.