alpha-Isomethylionone

Base Information Edit

Chemical Name:alpha-Isomethylionone
CAS No.:127-51-5
Molecular Formula:C14H22O
Molecular Weight:206.328
Hs Code.:2914299000
NSC Number:66432
Mol file:127-51-5.mol

Synonyms:(Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one;Methyl-.alpha.-isoionone;Iso-.alpha.-methyl ionone;NSC-66432;Gamma Methyl Ionone;.alpha.-Isomethylionone;SCHEMBL891912;NSC66432;alpha-isomethyl ionone (50% min.);alpha-isomethyl ionone (60% min.);alpha-isomethyl ionone (70% min.);alpha-isomethyl ionone (80% min.);alpha-isomethyl ionone (90% min.);4-(2,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one

Suppliers and Price of alpha-Isomethylionone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
α?Isomethyl ionone
100mg
$ 70.00

TCI Chemical
alpha-iso-Methylionone >70.0%(GC)
25mL
$ 70.00

Sigma-Aldrich
α?Isomethyl ionone ≥95%, stabilized, FG
100 g
$ 75.00

Sigma-Aldrich
α?Isomethyl ionone ≥95%,stabilized,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
α?Isomethyl ionone ≥95%, stabilized, FG
SAMPLE-K
$ 50.00

Sigma-Aldrich
α-Cetone odorant used in allergy studies
10 mL
$ 36.40

Sigma-Aldrich
α-Cetone odorant used in allergy studies
10ml-f
$ 35.20

Sigma-Aldrich
α-Cetone analytical standard
1ml
$ 61.60

Sigma-Aldrich
α-Cetone odorant used in allergy studies
50 mL
$ 138.00

Sigma-Aldrich
α-Cetone odorant used in allergy studies
50ml-f
$ 133.00

Total 56 raw suppliers

Chemical Property of alpha-Isomethylionone Edit

Chemical Property:

Vapor Pressure:0.00282mmHg at 25°C
Refractive Index:1.50188 (589.3 nm 20℃)
Boiling Point:285.3 °C at 760 mmHg
Flash Point:122.1 °C
PSA：17.07000
Density:0.929 g/cm³
LogP:3.90420
Storage Temp.:room temp
Water Solubility.:27.953mg/L at 25℃
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Heavy Atom Count:15
Complexity:318

Purity/Quality:

99.9% ^*data from raw suppliers

α?Isomethyl ionone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 43
Safety Statements: 24/25-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCCC(C1C=C(C)C(=O)C)(C)C
Isomeric SMILES:CC1=CCCC(C1/C=C(/C)\C(=O)C)(C)C
Description α-Isomethylionone has a fine violet and orris-like odor. This substance may be synthesized by condensation of citral with methyl ethyl ketone controlling the ratio between the n- and iso-forms; the methyl pseudo-ionone obtained is then subjected to ring closure, using strong alkali and high temperature (thus favoring the formation of the normal α- and β-methylionones) or with quaternary ammonium base (thus favoring the formation of wo-forms); See also monographs of α- and β-ionone and methyl α-, β-, and γ-ionones.

Technology Process of alpha-Isomethylionone

There total 7 articles about alpha-Isomethylionone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%