Safrole

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Properties Simple | Detailed

Formula C10H10O2
IUPAC Name 5-allyl-1,3-benzodioxole
Molecular Mass 162.185 g·mol−1
Heat of Formation -125.1 ± 16.7 kJ·mol−1
Dipole Moment 0.23 ± 1.08 D
Volume 199.88 Å 3
Surface Area 198.28 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (allyldioxy)benzene methylene ether
  • 1,2-(methylenedioxy)-4-allylbenzene
  • 1,2-methylenedioxy-4-allylbenzene
  • 1,3-benzodioxole, 5-(2-propenyl)-
  • 1,3-benzodioxole, 5-allyl-
  • 1-allyl-3,4-(methylenedioxy)benzene
  • 1-allyl-3,4-methylenedioxybenzene
  • 3,4-(methylenedioxy)allylbenzene
  • 4-allyl-1,2-(methylenedioxy)benzene
  • 4-allyl-1,2-methylenedioxybenzene
  • 4-allylpyrocatechol
  • 4-allylpyrocatechol formaldehyde acetal
  • 5-(2-propenyl)-1,3-benzodioxole
  • 5-prop-2-enyl-1,3-benzodioxole
  • [1,2-(methylenedioxy)-4-allyl]benzene
  • allylcatechol methylene ether
  • allyldioxybenzene methylene ether
  • allylpyrocatechol methylene ether
  • benzene, 1,2-methylenedioxy-4-allyl-
  • benzene, 4-allyl-1,2-(methylenedioxy)-
  • benzene,1-allyl,3,4-methylenedioxy safrole
  • caswell no. 729
  • epa pesticide chemical code 097901
  • m-allylpyrocatechin methylene ether
  • rhyuno oil
  • safrene
  • safrol
  • safrole mf
  • sassafras
  • sdccgmls-0066708.p001
  • shikimole
  • shikomol
CAS Number(s)
  • 94-59-7
  • 1406-55-9
  • 8022-92-2
InChIKey ZMQAAUBTXCXRIC-UHFFFAOYSA-N
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