Sodium benzoate, analytical standard

Base Information

• Chemical Name: Sodium benzoate, analytical standard
• CAS No.: 532-32-1
• Molecular Formula: C7H5NaO2
• Molecular Weight: 144.105
• Hs Code.: 2916.31 Oral rat LD50: 4070 mg/kg
• Mol file: 532-32-1.mol

Synonyms:SCHEMBL128630;Sodium benzoate, LR, >=99%;Sodium benzoate, puriss., 99.5%;Sodium benzoate, analytical standard;s3750;Sodium benzoate, >=99%, FCC, FG;Sodium benzoate, BioXtra, >=99.5%;Sodium benzoate, ReagentPlus(R), 99%;Sodium benzoate, USP, 99.0-100.5%;Sodium benzoate, BioUltra, >=99.5% (NT);Sodium benzoate, SAJ first grade, >=98.5%;Sodium benzoate, SAJ special grade, >=99.0%;Sodium benzoate, purum p.a., >=99.0% (NT);Sodium benzoate, Vetec(TM) reagent grade, 98%;Sodium benzoate, certified reference material, TraceCERT(R);Sodium benzoate, United States Pharmacopeia (USP) Reference Standard;Sodium benzoate, Pharmaceutical Secondary Standard;Certified Reference Material

Chemical Property of Sodium benzoate, analytical standard

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 249.3 °C at 760 mmHg
• PKA: 4.03[at 20 ℃]
• Flash Point: 111.4 °C
• PSA: 40.13000
• Density: 1,44 g/cm³
• LogP: 0.05010
• Storage Temp.: Store at RT.
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.02654871
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Sodium benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-62-63-68-36
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)O.[Na]
• Chemical Composition and Properties: Sodium benzoate is an organic sodium salt derived from the substitution of the proton from the carboxy group of benzoic acid by a sodium ion. It is tasteless, odorless, and soluble in water. Due to its antibacterial and antifungal properties, it is widely utilized as a preservative in food and pharmaceutical products.
• Regulatory Approval and Safety: Sodium benzoate has been approved as a food preservative by regulatory authorities such as the Food and Drug Administration (FDA). It is generally regarded as safe (GRAS) when consumed in doses of less than 5 mg/kg of body weight per day, with an established Acceptable Daily Intake (ADI). The compound does not accumulate in the body and is metabolized into hippurate, primarily excreted through the urinary system.
• Uses: Sodium benzoate is commonly used to preserve food products with acidic pH levels, including fruit pulp, jams, pickles, margarine, beer, canned vegetables, and salads. It is often added to carbonated drinks, sauces, mayonnaises, tomato paste, and fruit preserves. Additionally, sodium benzoate occurs naturally in cinnamon, mushrooms, cranberries, blueberries, and cloves. Therapeutically, it is utilized in drugs for urea cycle disorders and hyperammonemia.
• Potential Therapeutic Uses: Studies suggest that sodium benzoate may have therapeutic potential beyond its preservative function. It has been investigated for its effects on major depressive disorder (MDD), schizophrenia, autism spectrum disorder (ASD), and neurodegenerative diseases. Sodium benzoate has been shown to reduce homocysteine levels, which are associated with MDD and anxiety. Furthermore, it exhibits anti-inflammatory effects and inhibits tryptophan degradation, potentially contributing to the treatment of MDD.
• Effects in Animal Studies: Sodium benzoate administration in animals has demonstrated effects on lipid profiles, and liver, and kidney parameters. It has been shown to reduce homocysteine levels and exhibit anti-inflammatory effects through modulation of the NF魏B factor. These findings suggest potential therapeutic implications for sodium benzoate in various diseases and conditions. However, further research is needed to fully understand its mechanisms of action and clinical applications.

Technology Process of Sodium benzoate, analytical standard

There total 122 articles about Sodium benzoate, analytical standard 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: 92.0%

benzyl alcohol (100-51-6,185532-71-2) → sodium benzoate (532-32-1)

Guidance literature:

With oxygen; sodium hydroxide; In neat (no solvent); at 179.84 ℃; for 8h; Reagent/catalyst;

DOI:10.1016/S1872-2067(14)60159-5

Reference yield: 81.0%

sodium methylate (124-41-4) + 1-phenyl-2-hydroxyethanone (582-24-1) → sodium benzoate (532-32-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + methane (34557-54-5,27936-85-2) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

In methanol; benzene; at 20 ℃; Product distribution; Kinetics; Rate constant;

Reference yield: 72.0%

sodium p-chlorobenzoate (3686-66-6) → sodium benzoate (532-32-1)

Guidance literature:

With Triethoxysilane; C₂₀H₂₄N₄Ni; sodium t-butanolate; In toluene; at 80 ℃; for 8h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.7b00848

upstream raw materials:

benzoic acid methyl ester

sodium methylate

methanol

phenylglyoxal hydrate

Downstream raw materials:

C₉H₁₀O₃

2-pyridyl benzoate

thiophen-2-yl-methyl benzoate

phenyl(1H-pyrrol-2-yl)methanone

Refernces

• 1、 Rodrigues, Carolina M.,Ferreira, Odair P.,Alves, Oswaldo L.. "Interaction of sodium titanate nanotubes with organic acids and base: Chemical, structural and morphological stabilities". . p. 1341 - 1348. Retrieved 2010.
• 2、 Wang, Ying,Zheng, Jia-Min,Fan, Kangnian,Dai, Wei-Lin. "One-pot solvent-free synthesis of sodium benzoate from the oxidation of benzyl alcohol over novel efficient AuAg/TiO2 catalysts". . p. 1644 - 1647. Retrieved 2011.
• 3、 Wang, Zijing,Li, Xiaoyan,Sun, Hongjian,Fuhr, Olaf,Fenske, Dieter. "Synthesis of NHC Pincer Hydrido Nickel Complexes and Their Catalytic Applications in Hydrodehalogenation". . p. 539 - 544. Retrieved 2018/03/08.