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    • ChemicalBook--->CAS DataBase List--->79-69-6

      79-69-6

      79-69-6 Structure

      79-69-6 Structure
      IdentificationBack Directory
      [Name]

      IRONE
      [CAS]

      79-69-6
      [Synonyms]

      IRONE
      IRON-ALPHA
      alpha-Irone
      methyl-alpha-inon
      Methyl-alpha-ionone
      IRONE alpha REFINED
      ALPHA-N-METHYLIONONE
      5-methyl-alpha-ionone
      alpha-Ionone, 6-methyl-
      irone,mixtureofisomers(mainlythealpha-isomer)
      4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-on
      4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one
      4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-on
      4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-Buten-2-one
      4-(2,5,6,6-TetraMethylcyclohex-2-en-1-yl)but-3-en-2-one
      4-(2,5,6,6-tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
      3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
      (3E)-4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
      3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, cis-
      (3E)-4-[(5R)-2,5β,6,6-Tetramethyl-1-cyclohexen-1-yl]-3-buten-2-one
      Irone technical, mixture of isomers (mainly the alpha-isomer), >=90% (GC)
      [EINECS(EC#)]

      201-219-6
      [Molecular Formula]

      C14H22O
      [MDL Number]

      MFCD00042628
      [MOL File]

      79-69-6.mol
      [Molecular Weight]

      206.32
      Chemical PropertiesBack Directory
      [Appearance]

      Yellowish liquid; Soluble in alcohol. A mixture of three isomers (α-, βand γ-irone).
      [Melting point ]

      <25 °C
      [Boiling point ]

      285.19°C (rough estimate)
      [density ]

      0.934 g/mL at 20 °C(lit.)
      [vapor pressure ]

      0.4Pa at 20℃
      [FEMA ]

      2597 | ALPHA-IRONE
      [refractive index ]

      n20/D 1.492
      [form ]

      Liquid
      [Odor]

      at 10.00 % in dipropylene glycol. orris floral berry violet woody powdery
      [Odor Type]

      floral
      [JECFA Number]

      403
      [Merck ]

      13,5111
      [BRN ]

      1343498
      [LogP]

      3.8-4 at 35℃ and pH7
      [Uses]

      Perfumery, violet odor. The α isomer is also used as a flavoring agent.
      [EPA Substance Registry System]

      3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- (79-69-6)
      Hazard InformationBack Directory
      [Definition]

      ChEBI: A methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group.
      [Description]

      α-Irone has a characteristic orris and violet-like odor. The commercially prepared product corresponds generally to the α-isomer.
      [Chemical Properties]

      Yellowish liquid; Soluble in alcohol. A mixture of three isomers (α-, βand γ-irone).
      [Chemical Properties]

      α- Irone has a rich, floral and natural character and constitutes an important element in orris and violet compositions as well as being useful when an exotic nuance is required. α-Irone is extremely diffusive, and it gives volume and tenacity to compositions. In combination with α-irisone (1:20, respectively) gives a natural orris effect.
      [Occurrence]

      Reported found in orris root, raspberry and flowers of Pittosporum sp
      [Preparation]

      By intramolecular thermal H-ene reaction of an allysilane.
      [Taste threshold values]

      Taste characteristics at 10 ppm: woody, fruity, raspberry, orris, and berry with seedy nuances.
      [General Description]

      Irone is a bioactive compound that is produced by an endophytic fungus in the rhizomes of Iris germanica.
      [Synthesis]

      Alpha-n-Methy lionone is synthesized by condensation of Methylethyl ketone with Citral, and cyclization of the resulting Pseudomethylionone. Cyclization may be carried out with Boron trifluoride or other agent.
      [Purification Methods]

      If large amounts are available, then fractionate through a Podbielniak column (p 10) or an efficient spinning band column, but small amounts are distilled using a Kügelrohr apparatus. The 4-phenylsemicarbazone has m 174-175o (165-165.5o). [IR: Seidel & Ruzicka Helv Chim Acta 35 1826 1952, Naves Helv Chim Acta 31 1280 1948, Lecomte & Naves J Chim Phys 53 462 1956, Beilstein 7 IV 378.]
      Safety DataBack Directory
      [Safety Statements ]

      23-24/25
      [WGK Germany ]

      2
      [RTECS ]

      EN0335000
      Raw materials And Preparation ProductsBack Directory
      [Raw materials]

      1,3-Butadiene-->Citral
      [Preparation Products]

      METHYLIONONE
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      Tags:79-69-6 Related Product Information
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