A,A-Dimethylphenethyl Butyrate

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Properties Simple | Detailed

Formula C14H20O2
IUPAC Name (1,1-dimethyl-2-phenyl-ethyl) butanoate
Molecular Mass 220.307 g·mol−1
Heat of Formation -438.4 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 295.29 Å 3
Surface Area 270.98 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-1-phenyl-propan-2-yl) butanoate
  • (2-methyl-1-phenylpropan-2-yl) butanoate
  • 1,1-dimethyl-2-phenylethyl butanoate
  • 2-benzyl-2-propyl butyrate
  • alpha,alpha-dimethylphenethyl butyrate
  • benzyl dimethyl carbinyl butyrate
  • benzyl dimethylcarbinyl butyrate
  • benzyl dimethylcarbinyl n-butyrate
  • butanoic acid (1,1-dimethyl-2-phenylethyl) ester
  • butanoic acid, 1,1-dimethyl-2-phenylethyl ester
  • butyric acid (1,1-dimethyl-2-phenyl-ethyl) ester
  • butyric acid, .alpha.,.alpha.-dimethylphenethyl ester
  • butyric acid, alpha,alpha-dimethylphenethyl ester
  • dimethyl benzyl carbinyl butyrate
  • dimethylbenzylcarbinyl butyrate
  • dmbc butyrate
CAS Number(s)
  • 10094-34-5
InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N
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