4-Isopropylbenzyl Acetate

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Properties Simple | Detailed

Formula C12H16O2
IUPAC Name (4-isopropylphenyl)methyl acetate
Molecular Mass 192.254 g·mol−1
Heat of Formation -376.6 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 254.1 Å 3
Surface Area 247.07 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4-propan-2-ylphenyl)methyl acetate
  • (4-propan-2-ylphenyl)methyl ethanoate
  • 4-(1-methylethyl)benzenemethanol acetate
  • acetic acid (4-isopropylbenzyl) ester
  • acetic acid (4-isopropylphenyl)methyl ester
  • benzenemethanol, 4-(1-methylethyl)-, acetate
  • cuminyl acetate
  • p-isopropylbenzyl acetate
CAS Number(s)
  • 59230-57-8
InChIKey QBCRVYRADYXNOW-UHFFFAOYSA-N
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