Safranal

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Properties Simple | Detailed

Formula C10H14O
IUPAC Name 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
Molecular Mass 150.218 g·mol−1
Heat of Formation -127.6 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 204.41 Å 3
Surface Area 190.02 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6,6-trimethylcyclohexa-1,3-dienyl)methanal
  • 1,1,3-trimethyl-2-formylcyclohexa-2,4-diene
  • 1,3-cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
  • 2,3-dihydro-2,2,6-trimethylbenzaldehyde
  • 2,6,6-trimethyl-1,3-cyclohexadienal
  • 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde
  • 2,6,6-trimethylcyclohexa-1,3-dienyl methanal
  • dehydro-beta-cyclocitral
CAS Number(s)
  • 116-26-7
InChIKey SGAWOGXMMPSZPB-UHFFFAOYSA-N
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