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277746

Sigma-Aldrich

Benzoic acid-α-13C

99 atom % 13C

Synonym(s):

13C Labeled benzoic acid, Benzoic acid-(carboxy-13C)

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About This Item

Linear Formula:
C6H513CO2H
CAS Number:
3880-99-7
Molecular Weight:
123.11
MDL number:
MFCD00002399
UNSPSC Code:
12352106
PubChem Substance ID:
24856783
NACRES:
NA.12

isotopic purity

99 atom % 13C

Quality Level

200

form

solid

bp

249 °C (lit.)

mp

121-125 °C (lit.)

mass shift

M+1

SMILES string

O[13C](=O)c1ccccc1

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i7+1

InChI key

WPYMKLBDIGXBTP-CDYZYAPPSA-N

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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

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

target_organs

Lungs

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

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Madalina Neacsu et al.
Molecular nutrition & food research, 61(3) (2016-07-01)
Phytophenols present in cereals are metabolised to compounds that could be partly responsible for the reduced risk of chronic diseases and all-cause mortality associated with fibre-rich diets. The bioavailability, form and in vivo concentrations of these metabolites require to be

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