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591076

Sigma-Aldrich

Octanoic acid-2-13C

99 atom % 13C

Synonym(s):

Caprylic acid-2-13C

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About This Item

Linear Formula:
CH3(CH2)513CH2CO2H
CAS Number:
287111-06-2
Molecular Weight:
145.20
MDL number:
MFCD01075547
UNSPSC Code:
51113400
PubChem Substance ID:
329758581

isotopic purity

99 atom % 13C

bp

237 °C (lit.)

mp

16 °C (lit.)

density

0.916 g/mL at 25 °C

mass shift

M+1

SMILES string

CCCCCC[13CH2]C(O)=O

InChI

1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i7+1

InChI key

WWZKQHOCKIZLMA-CDYZYAPPSA-N

Related Categories

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

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

Certificates of Analysis (COA)

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