Sodium benzoate - CAS 532-32-1

Catalog:	BB028092
Product Name:	Sodium benzoate
CAS:	532-32-1
Synonyms:	ucephan; sobenate; BENZOTRON(R)

Technical Data

Related CAS:	65-85-0 (free acid)
IUPAC Name:	sodium;benzoate
Description:	Sodium Benzoate can be used as a tablet and capsule lubricant in the pharmaceutical formulations.
Molecular Weight:	144.103
Molecular Formula:	C7H5NaO2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)[O-].[Na+]
InChI:	InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChI Key:	WXMKPNITSTVMEF-UHFFFAOYSA-M
Boiling Point:	249.3°C at 760 mmHg
Melting Point:	>300 °C(lit.)
Flash Point:	111.4°C
Purity:	0.99
Density:	1.44 g/cm3
Solubility:	Soluble in DMSO (slightly), water (slightly).
Appearance:	White crystalline powder
Storage:	Room Temperature
Decomposition:	When heated to decomposition it emits toxic fumes of /sodium oxide
MDL:	MFCD00012463
LogP:	0.0501
pH:	Aqueous solution is slightly alkaline to litmus, pH about 8
Stability:	Stable, but may be moisture senstive. Incompatible with strong oxidizing agents, alkalis, mineral acids.
Vapor Pressure:	2.9X10-12 mm Hg at 25 °C (est)

GHS Hazard Statement:	H319 (99.05%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32911041	20201201	Dose-dependent reproductive toxicity of sodium benzoate in male rats: Inflammation, oxidative stress and apoptosis	Reproductive toxicology (Elmsford, N.Y.)
32179172	20200605	Involvement of tumor necrosis factor-α, interferon gamma-γ, and interleukins 1β, 6, and 10 in immunosuppression due to long-term exposure to five common food preservatives in rats	Gene
29243862	20180201	Effects of sodium benzoate, a commonly used food preservative, on learning, memory, and oxidative stress in brain of mice	Journal of biochemical and molecular toxicology
26706697	20160201	Sodium benzoate, a food preservative, affects the functional and activation status of splenocytes at non cytotoxic dose	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
26558461	20151201	Applicability of a gene expression based prediction method to SD and Wistar rats: an example of CARCINOscreen®	The Journal of toxicological sciences

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.01872368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.01872368
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0