| Identification | Back Directory | [Name]
Caprylic acid-2-13C | [CAS]
287111-06-2 | [Synonyms]
Caprylic acid-2-13C
Octanoic acid-2-13C | [Molecular Formula]
C8H16O2 | [MDL Number]
MFCD01075547 | [MOL File]
287111-06-2.mol | [Molecular Weight]
145.22 |
| Chemical Properties | Back Directory | [Melting point ]
16 °C(lit.) | [Boiling point ]
237 °C(lit.) | [density ]
0.916 g/mL at 25 °C | [Fp ]
113 °C | [InChI]
1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i7+1 | [InChIKey]
WWZKQHOCKIZLMA-CDYZYAPPSA-N | [SMILES]
CCCCCC[13CH2]C(O)=O |
| Hazard Information | Back Directory | [Uses]
- High-resolution NMR spectroscopy
- Metabolomic profiling and pathway analysis
- Stable Isotope probing in Environmental microbiology
- Acid-catalyzed reaction mechanism studies | [Definition]
ChEBI: Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate. |
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Merck KGaA
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www.sigmaaldrich.cn |
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SIGMA-RBI
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www.sigma-aldrich.com |
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