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Key Documents

488372

Sigma-Aldrich

Butyric acid-1-13C

99 atom % 13C

Synonym(s):

Butanoic acid-1-13C

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About This Item

Linear Formula:
CH3(CH2)213CO2H
CAS Number:
Molecular Weight:
89.10
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % 13C

Assay

99% (CP)

refractive index

n20/D 1.3969 (lit.)

bp

162 °C (lit.)

mp

-6--3 °C (lit.)

density

0.975 g/mL at 25 °C

mass shift

M+1

SMILES string

CCC[13C](O)=O

InChI

1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i4+1

InChI key

FERIUCNNQQJTOY-AZXPZELESA-N

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

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

161.6 °F - closed cup

Flash Point(C)

72 °C - closed cup


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Articles

We present an article about the hyperpolarization of 13C labeled metabolites, especially pyruvic acid, using dynamic nuclear polarization (DNP) that allows real-time magnetic resonance spectroscopy.

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