Isoamyl Salicylate

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Properties Simple | Detailed

Formula C12H16O3
IUPAC Name isopentyl 2-hydroxybenzoate
Molecular Mass 208.254 g·mol−1
Heat of Formation -527.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 262.94 Å 3
Surface Area 253.21 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxybenzoic acid isoamyl ester
  • 2-hydroxybenzoic acid isopentyl ester
  • 2-hydroxybenzoic acid, 3-methylbutyl ester
  • 3-methylbutyl 2-hydroxybenzoate
  • 3-methylbutyl o-hydroxybenzoate
  • 3-methylbutyl salicylate
  • bb_sc-2006
  • benzoic acid, 2-hydroxy-, 3-methylbutyl ester
  • isoamyl o-hydroxybenzoate
  • isoamyl salicylate (natural)
  • isopentyl o-hydroxybenzoate
  • isopentyl salicylate
  • isopentyl-2-hydroxyphenyl methanoate
  • isopentylsalicyclic acid ester
  • salicylic acid, isopentyl ester
CAS Number(s)
  • 87-20-7
  • 34377-38-3
InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N
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Elements H C O