beta-Methylionone

Base Information Edit

Chemical Name:beta-Methylionone
CAS No.:127-43-5
Deprecated CAS:1335-68-8,8053-28-9
Molecular Formula:C14H22O
Molecular Weight:206.328
Hs Code.:2914299000
European Community (EC) Number:264-140-6,204-843-7,215-341-2
NSC Number:163995
UNII:54PXU8D4R5
DSSTox Substance ID:DTXSID401036355
Nikkaji Number:J151.171H,J208.706E
Wikidata:Q27160975
Metabolomics Workbench ID:48062
Mol file:127-43-5.mol

Synonyms:beta-Methylionone;beta methyl ionone;127-43-5;beta-Iraldeine;beta-Methyl ionone;Methyl-beta-ionone;.beta.-Methylionone;Methyl-.beta.-ionone;.beta.-Ionone, methyl-;.beta.-Iraldeine;Cetone, beta-;63429-28-7;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one;FEMA No. 2712;beta-Ionone, methyl-;1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-;UNII-54PXU8D4R5;5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one;54PXU8D4R5;(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one;(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one;EINECS 204-843-7;EINECS 215-341-2;EINECS 264-140-6;NSC 163995;NSC-163995;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one;(1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one;AI3-24259;3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, monomethyl deriv.;EC 264-140-6;1322-71-0;(1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one;4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one, monomethyl derivative;b-Methylionone;methyl beta-ionone;1-Methyl-b-ionone;beta-N-Methyl ionone;(E)-beta-methyl ionone;.BETA.-CETONE;.beta.-N-Methyl ionone;.BETA.-METHYL IONONE;SCHEMBL1404271;SCHEMBL1404273;CHEBI:88921;FEMA 2712;1-Penten-3-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;LMWNGLDCJDIIBR-CMDGGOBGSA-N;DTXSID401036355;METHYL-.BETA.-IONONE [FHFI];MFCD00031478;NSC163995;5-(2,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one;1-Penten-3-one,6,6-trimethyl-1-cyclohexen-1-yl)-;1-penten-3-one-(2,6,6-trimethyl-1-cyclohen-1-yl);Q27160975;5-(2,6, 6-Trimethyl-1-cyclohexenyl)-4-penten-3-one;1(E)-(2,6,6-trimethyl-cyclohex-1-enyl)-pent-1-en-3-one;1-(2 2 6-Trimethylcyclohex-1-en-1-yl)-1-penten-3-one;1-penten-3-ona, 1-(2,6,6-trimetil-1-ciclohexen-1-il)-;5-(2 6 6-Trimethyl-1-cyclohexen-1-yl)-4-penten-3-one;5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4-penten-3-one;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one #;1 - (2,6,6 - trimethyl - 1 - cyclohexen - 1 - yl)pent - 1 - en - 3 - one

Suppliers and Price of beta-Methylionone

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

Total 7 raw suppliers

Chemical Property of beta-Methylionone Edit

Chemical Property:

Vapor Pressure:0.00108mmHg at 25°C
Refractive Index:1.514
Boiling Point:301 °C at 760 mmHg
Flash Point:130.8 °C
PSA：17.07000
Density:0,94 g/cm³
LogP:4.04830
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.167065321
Heavy Atom Count:15
Complexity:305

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)C=CC1=C(CCCC1(C)C)C
Isomeric SMILES:CCC(=O)/C=C/C1=C(CCCC1(C)C)C
Description Methyl-P-ionone has an odor similar to P-ionone with a Bulgarian leather note. May be prepared by condensation of citral with methyl ethyl ketone (see α-isomethylionone); it is usually present in low levels (6 - 7%) in commercial products.

Technology Process of beta-Methylionone

There total 1 articles about beta-Methylionone 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: 85.0%