3-Phenylpropyl Acetate

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Properties Simple | Detailed

Formula C11H14O2
IUPAC Name 3-phenylpropyl acetate
Molecular Mass 178.228 g·mol−1
Heat of Formation -346.8 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 232.58 Å 3
Surface Area 232.63 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry Cs
Synonyms
  • (3-acetoxypropyl)benzene
  • .gamma.-phenylpropyl acetate
  • 1-acetoxy-3-phenylpropane
  • 1-propanol, 3-phenyl-, acetate
  • 3-acetoxy-1-phenylpropane
  • 3-phenyl-1-propanol, acetate
  • 3-phenyl-1-propyl acetate
  • 3-phenylpropyl acetate (natural)
  • 3-phenylpropyl ethanoate
  • acetic acid 3-phenylpropyl ester
  • benzenepropanol, acetate
  • benzenepropyl acetate
  • hydrocinnamyl acetate
  • phenylpropyl acetate
CAS Number(s)
  • 122-72-5
  • 1335-15-5
  • 143601-14-3
InChIKey JRJGKUTZNBZHNK-UHFFFAOYSA-N
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