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2-Octanone

View entire compound with spectra: 13 NMR, 12 FTIR, 1 Raman, 38 MS (GC), and 2 Near IR

2-Octanone
SpectraBase Compound ID 5Fi5udRTGZ7
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CKmZP8UAB3M
Name 2-OCTANONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 173C
CAS Registry Number 111-13-7
Compound Type Pure
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Density 0.819
FEMA Number 2802
Flash Point 62C
Formula C8H16O
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Melting Point -16C
Molecular Weight 128.22
Sample Description FLORAL, GREEN, HERBACEOUS, FRUITY; APPLE ODOR, CAMPHOR TASTE
Synonyms HEXYL METHYL KETONE METHYL HEXYL KETONE
Technique CAPILLARY CELL: NEAT