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586331

Sigma-Aldrich

Sodium benzoate-d5

98 atom % D

Synonym(s):

Benzoic acid-2,3,4,5,6-d5 sodium salt

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About This Item

Linear Formula:
C6D5CO2Na
CAS Number:
62790-26-5
Molecular Weight:
149.13
MDL number:
MFCD01075425
UNSPSC Code:
12352202
PubChem Substance ID:
24881112
Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

isotopic purity

98 atom % D

Quality Level

200

mp

>300 °C (lit.)

mass shift

M+5

SMILES string

[Na+].[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([O-])=O

InChI

1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;

InChI key

WXMKPNITSTVMEF-GWVWGMRQSA-M

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

249.8 °F - closed cup

Flash Point(C)

121 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
CC0268
CC0303
CR0324
10921AE

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Belinda S Lennerz et al.
Molecular genetics and metabolism, 114(1), 73-79 (2014-12-17)
Sodium benzoate is a widely used preservative found in many foods and soft drinks. It is metabolized within mitochondria to produce hippurate, which is then cleared by the kidneys. We previously reported that ingestion of sodium benzoate at the generally

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