| Identification | Back 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 Properties | Back 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 Information | Back 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.] |
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jiliang chemicals
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