2-Methyl-4-Phenyl-2-Butanyl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18O2
IUPAC Name (1,1-dimethyl-3-phenyl-propyl) acetate
Molecular Mass 206.281 g·mol−1
Heat of Formation -417.5 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 276.61 Å 3
Surface Area 251.78 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-4-phenyl-butan-2-yl) ethanoate
  • (2-methyl-4-phenylbutan-2-yl) acetate
  • 1,1-dimethyl-3-phenylpropan-1-yl acetate
  • 1,1-dimethyl-3-phenylpropyl acetate
  • 2-butanol, 2-methyl-4-phenyl-, acetate
  • 2-methyl-4-phenyl-2-butyl acetate
  • acetic acid (1,1-dimethyl-3-phenyl-propyl) ester
  • acetic acid (1,1-dimethyl-3-phenylpropyl) ester
  • acetic acid, (1,1-dimethyl-3-phenylpropyl) ester
  • alpha,alpha-dimethylbenzenepropanol acetate
  • alpha,alpha-dimethylbenzenepropyl acetate
  • benzenepropanol, alpha,alpha-dimethyl-, acetate
  • dimethyl phenethyl carbinyl acetate
  • dimethylphenethylcarbinyl acetate
  • dimethylphenylethylcarbinyl acetate
  • dmpec acetate
  • phenylethyl dimethyl carbinyl acetate
CAS Number(s)
  • 103-07-1
InChIKey ZXFNOEJFYLQUSB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O