ChemicalBook > CAS DataBase List > IRONE

IRONE

Product Name
IRONE
CAS No.
79-69-6
Chemical Name
IRONE
Synonyms
IRONE;α-irone;IRON-ALPHA;alpha-Irone;methyl-alpha-inon;Methyl-alpha-ionone;IRONE alpha REFINED;IRONE ALPHA 6065003;ALPHA-N-METHYLIONONE;5-methyl-alpha-ionone
CBNumber
CB9184594
Molecular Formula
C14H22O
Formula Weight
206.32
MOL File
79-69-6.mol
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IRONE Property

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℃
refractive index 
n20/D 1.492
FEMA 
2597 | ALPHA-IRONE
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
EPA Substance Registry System
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- (79-69-6)
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Safety

Safety Statements 
23-24/25
WGK Germany 
2
RTECS 
EN0335000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Hazard statements

H411Toxic to aquatic life with long lasting effects

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
58220
Product name
Irone
Purity
technical, mixture of isomers (mainly the α-isomer), ≥90% (GC)
Packaging
5ml
Price
$275
Updated
2024/03/01
American Custom Chemicals Corporation
Product number
FFG0000248
Product name
IRONE
Purity
95.00%
Packaging
250MG
Price
$762.83
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
FFG0000248
Product name
IRONE
Purity
95.00%
Packaging
5ML
Price
$944.21
Updated
2021/12/16
Chem-Impex
Product number
34401
Product name
Irone,95-100%(Assay,sumofisomers),meetsFGspecifications,KOSHER,FEMA2597
Purity
95-100%(Assay,sumofisomers)
Packaging
25KG
Price
$58523.1
Updated
2021/12/16
Crysdot
Product number
CD13004268
Product name
4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Purity
95+%
Packaging
250mg
Price
$713
Updated
2021/12/16
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IRONE Chemical Properties,Usage,Production

Description

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

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.

Chemical Properties

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

Occurrence

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

Uses

Perfumery, violet odor. The α isomer is also used as a flavoring agent.

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.

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.]

IRONE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from IRONE manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
Irone 79-69-6
Price
US $0.00-0.00/KG
Min. Order
100g
Purity
99.0%+
Supply Ability
100 tons
Release date
2020-01-19
Career Henan Chemical Co
Product
IRONE 79-69-6
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1
Release date
2018-08-06

79-69-6, IRONERelated Search:


  • (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)-
  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, cis-
  • 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-on
  • 4-(2,5,6,6-tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
  • 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-Buten-2-one
  • alpha-Ionone, 6-methyl-
  • alpha-Irone
  • irone,mixtureofisomers(mainlythealpha-isomer)
  • methyl-alpha-inon
  • Methyl-alpha-ionone
  • 4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one
  • 5-methyl-alpha-ionone
  • ALPHA-N-METHYLIONONE
  • 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-on
  • IRON-ALPHA
  • IRONE alpha REFINED
  • IRONE
  • (3E)-4-[(5R)-2,5β,6,6-Tetramethyl-1-cyclohexen-1-yl]-3-buten-2-one
  • 4-(2,5,6,6-TetraMethylcyclohex-2-en-1-yl)but-3-en-2-one
  • Irone technical, mixture of isomers (mainly the alpha-isomer), >=90% (GC)
  • Irone (mixture of isomers)
  • α-irone
  • (e)-4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
  • IRONE ALPHA 6065003
  • 79-69-6
  • Organic Building Blocks
  • Ketones
  • Asymmetric Synthesis
  • Chiral Building Blocks
  • Chiral Building Blocks
  • Ketones
  • Organic Building Blocks
  • ketone Flavor