Hexyl Vanillate

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Properties Simple | Detailed

Formula C14H20O4
IUPAC Name hexyl 4-hydroxy-3-methoxy-benzoate
Molecular Mass 252.306 g·mol−1
Heat of Formation -709.1 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 317.85 Å 3
Surface Area 307.69 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-hydroxy-3-methoxy-benzoic acid hexyl ester
  • 4-hydroxy-3-methoxybenzoic acid hexyl ester
  • benzoic acid, 4-hydroxy-3-methoxy-, hexyl ester
  • hexyl 4-hydroxy-3-methoxybenzoate
  • n-hexyl vanillate
CAS Number(s)
  • 84375-71-3
InChIKey XMZOLZUIEQZXOB-UHFFFAOYSA-N
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