α-Terpineol Acetate

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Properties Simple | Detailed

Formula C12H20O2
IUPAC Name [1-methyl-1-[(1s)-4-methylcyclohex-3-en-1-yl]ethyl] acetate
Molecular Mass 196.286 g·mol−1
Heat of Formation -506.2 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 268.26 Å 3
Surface Area 241.39 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methyl acetate
  • (s)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methyl acetate
  • 1-alpha-terpinyl acetate
  • 2-[(1s)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate
  • 2-[(1s)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate
  • 3-cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1r)-
  • 3-cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1s)-
  • 3-cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (s)-
  • 3-cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-
  • [1-methyl-1-[(1s)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate
  • acetic acid [1-methyl-1-[(1s)-4-methyl-1-cyclohex-3-enyl]ethyl] ester
CAS Number(s)
  • 58206-95-4
  • 7785-54-8
InChIKey IGODOXYLBBXFDW-LLVKDONJSA-N
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