Neryl Acetate

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Properties Simple | Detailed

Formula C12H20O2
IUPAC Name [(2z)-3,7-dimethylocta-2,6-dienyl] acetate
Molecular Mass 196.286 g·mol−1
Heat of Formation -443.7 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 277.04 Å 3
Surface Area 257.24 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 4.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-octadien-1-ol, 3,7-dimethyl-, acetate, (z)-
  • [(2z)-3,7-dimethylocta-2,6-dienyl] acetate
  • [(2z)-3,7-dimethylocta-2,6-dienyl] ethanoate
  • acetic acid [(2z)-3,7-dimethylocta-2,6-dienyl] ester
  • cis-3,7-dimethyl-2,6-octadien-1-yl acetate
  • linalyl, neryl, geranyl acetates, mixture
  • nerol acetate
CAS Number(s)
  • 141-12-8
InChIKey HIGQPQRQIQDZMP-FLIBITNWSA-N
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