Prenyl Acetate

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Properties Simple | Detailed

Formula C7H12O2
IUPAC Name 3-methylbut-2-enyl acetate
Molecular Mass 128.169 g·mol−1
Heat of Formation -417.8 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 176.35 Å 3
Surface Area 181.67 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 4.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-buten-1-ol, 3-methyl-, acetate
  • 3,3-dimethyl allyl acetate
  • 3,3-dimethylallyl acetate
  • 3-methyl-2-buten-1-ol acetate
  • 3-methyl-2-buten-1-ol, acetate
  • 3-methyl-2-buten-1-yl acetate
  • 3-methyl-2-butenyl acetate
  • 3-methylbut-2-enyl ethanoate
  • acetic acid 3-methylbut-2-enyl ester
  • dimethylallyl acetate
  • isopent-2-enyl acetate
CAS Number(s)
  • 1191-16-8
InChIKey XXIKYCPRDXIMQM-UHFFFAOYSA-N
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