Isoamyl Isovalerate

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Properties Simple | Detailed

Formula C10H20O2
IUPAC Name isopentyl 3-methylbutanoate
Molecular Mass 172.265 g·mol−1
Heat of Formation -567.2 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 247.66 Å 3
Surface Area 242.64 Å 2
HOMO Energy -10.66 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid isopentyl ester
  • 3-methylbutyl 3-methylbutanoate
  • 3-methylbutyl 3-methylbutyrate
  • 3-methylbutyl isovalerate
  • 3-methylbutyric acid isoamyl ester
  • apple essence
  • apple oil
  • butanoic acid, 3-methyl-, 3-methylbutyl ester
  • iso-amyl isovalerate
  • isoamyl 3-methylbutanoate
  • isoamyl 3-methylbutyrate
  • isoamyl isopentanoate
  • isoamyl isovalerate (natural)
  • isoamyl isovalerianate
  • isoamyl valerianate
  • isopentyl 3-methylbutyrate
  • isopentyl alcohol, isovalerate
  • isopentyl isopentanoate
  • isopentyl isovalerate
  • isovaleric acid, isopentyl ester
  • ls-2395
  • solusterol
CAS Number(s)
  • 659-70-1
InChIKey XINCECQTMHSORG-UHFFFAOYSA-N
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