Thujone[侧柏]

CAS:546-80-5

SKU: NCC.546.80.5 分类:
保证安全结账

CAS Registry Number®

546-80-5

CAS Name

Thujone

Molecular Formula

C10H16O

Molecular Mass

152.23

Compound Properties

  • Boiling Point (1)

    203 °C

  • Melting Point (1)

    <25 °C

  • Density (2)

    0.919 g/cm³ @ Temp: 15 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Godchot, Marcel; Compt. rend., (1914), 158, 1807-8, CAplus

Other Names and Identifiers

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

InChIKey

InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N

SMILES

C(C)(C)[C@]12[C@](C1)([C@@H](C)C(=O)C2)[H]

Canonical SMILES

O=C1CC2(CC2C1C)C(C)C

Other Names for this Substance

  • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
  • 3-Thujanone, (1S,4R,5R)-(-)-
  • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4α,5α)]-
  • (1S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
  • α-Thujone
  • Thujone
  • (-)-Thujone
  • Thujon
  • (-)-α-Thujone
  • NSC 93742
  • Absinthol
  • (1S,4R,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

Deleted or Replaced CAS Registry Numbers

1310340-03-4, 2407704-71-4

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