488372

Sigma-Aldrich

Butyric acid-1-13C

99 atom % 13C

Synonym(s):
Butanoic acid-1-13C
Linear Formula:
CH3(CH2)213CO2H
CAS Number:
Molecular Weight:
89.10
MDL number:
PubChem Substance ID:
NACRES:
NA.12

Quality Level

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

Related Categories

Packaging

1 g in ampule
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

Corrosion

Signal Word

Danger

Hazard Statements

Precautionary Statements

hazcat

Skin Corr. 1B

storage_class_code

8A - Combustible, corrosive hazardous materials

WGK Germany

WGK 1

Flash Point(F)

161.6 °F - closed cup

Flash Point(C)

72 °C - closed cup

Certificate of Analysis

Certificate of Origin

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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