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Merck
CN

18106

Sodium benzoate

99.0-100.5% (calc. to the dried substance), powder, puriss., meets analytical specification of Ph. Eur., BP, FCC, E211

Synonym(s):

BENZOTRON, Benzoic acid sodium salt

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About This Item

Linear Formula:
C6H5COONa
CAS Number:
Molecular Weight:
144.10
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39024301
UNSPSC Code:
12352100
EC Number:
208-534-8
MDL number:
Beilstein/REAXYS Number:
3572467
Assay:
99.0-100.5% (calc. to the dried substance)
Form:
powder
Solubility:
water: soluble 556 g/L
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Product Name

Sodium benzoate, puriss., meets analytical specification of Ph. Eur., BP, FCC, E211, 99.0-100.5% (calc. to the dried substance), powder

grade

puriss.

Quality Level

assay

99.0-100.5% (calc. to the dried substance)

form

powder

quality

meets analytical specification of Ph. Eur., BP, FCC, E211

impurities

acidity or alkalinity, complies, oxidizable impurities, complies, residual solvents, complies, ≤0.001% heavy metals (as Pb), ≤0.03% halogenated compounds (as Cl)

loss

≤1% loss on drying, 105 °C

mp

>300 °C (lit.)

solubility

water: soluble 556 g/L

anion traces

chloride (Cl-): ≤100 mg/kg, sulfate (SO42-): ≤100 mg/kg

cation traces

As: ≤2 mg/kg, Cu: ≤10 mg/kg, Hg: ≤1 mg/kg, Pb: ≤2 mg/kg, Zn: ≤10 mg/kg

suitability

complies for appearance of solution

functional group

phenyl

SMILES string

[Na+].[O-]C(=O)c1ccccc1

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

Application

Sodium benzoate can be used as areactant to synthesize:
  • 2-Phenoxyethyl benzoate via phase-transfercatalyzed esterification with 2-phenoxyethyl bromide.
  • Ynones by Pd free coupling reactionwith terminal alkynes in the presence of cyanuric chloride and magnesiumchloride.
It can also be used as a catalyst to synthesize:
  • 3-Methyl-4-arylmethylene-isoxazol-5(4H)-onesby reacting ethyl acetoacetate, hydroxylamine hydrochloride, and aromaticaldehydes.
  • 4-Pyrazolylmethylene-3-phenylisoxazol-5(4H)-onesvia three-component cyclocondensation of pyrazole-4-carbaxaldehyde withβ-ketoesters and hydroxylamine hydrochloride.

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pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2

Storage Class

13 - Non Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)



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Saurav Brahmachari et al.
Journal of immunology (Baltimore, Md. : 1950), 179(1), 275-283 (2007-06-21)
Experimental allergic encephalomyelitis (EAE) is the animal model for multiple sclerosis. This study explores a novel use of sodium benzoate (NaB), a commonly used food additive and a Food and Drug Administration-approved nontoxic drug for urea cycle disorders, in treating
Eagleson M.
Concise Encyclopedia Chemistry, 121-121 (1994)
H M Pylypiw et al.
Journal of chromatography. A, 883(1-2), 299-304 (2000-07-26)
A rapid and reliable method is presented for the determination of the preservatives sodium benzoate and potassium sorbate in fruit juices, sodas, soy sauce, ketchup, peanut butter, cream cheese, and other foods. The procedure utilizes high-performance liquid chromatography (HPLC) followed



Global Trade Item Number

SKUGTIN
18106-1KG-R04061838755100
18106-6X1KG-R04061833544914