alpha-Irone

Base Information

Chemical Name:alpha-Irone
CAS No.:79-69-6
Deprecated CAS:54082-69-8
Molecular Formula:C14H22 O
Molecular Weight:206.328
Hs Code.:
European Community (EC) Number:201-219-6
Nikkaji Number:J4.239K
Wikidata:Q27108610
Metabolomics Workbench ID:46996
ChEMBL ID:CHEMBL3183603
Mol file:79-69-6.mol

Synonyms:alpha-irone

Suppliers and Price of alpha-Irone

Supply Marketing:

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

Sigma-Aldrich
Irone technical, mixture of isomers (mainly the α-isomer), ≥90% (GC)
5 mL
$ 223.00

Sigma-Aldrich
Irone technical, mixture of isomers (mainly the α-isomer), ≥90% (GC)
5ml-f
$ 212.00

Crysdot
4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one 95+%
250mg
$ 713.00

Chem-Impex
Irone,95-100%(Assay,sumofisomers),meetsFGspecifications,KOSHER,FEMA2597 95-100%(Assay,sumofisomers)
25KG
$ 58523.10

American Custom Chemicals Corporation
IRONE 95.00%
5ML
$ 944.21

American Custom Chemicals Corporation
IRONE 95.00%
250MG
$ 762.83

Total 39 raw suppliers

Chemical Property of alpha-Irone

Chemical Property:

Vapor Pressure:0.00419mmHg at 25°C
Melting Point:<25 °C
Refractive Index:n20/D 1.492
Boiling Point:278.7oC at 760 mmHg
Flash Point:118.4oC
PSA：17.07000
Density:0.914g/cm3
LogP:3.76010
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Heavy Atom Count:15
Complexity:307

Purity/Quality:

99.9% ^*data from raw suppliers

Irone technical, mixture of isomers (mainly the α-isomer), ≥90% (GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC=C(C(C1(C)C)C=CC(=O)C)C
Isomeric SMILES:CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C
Description α-Irone has a characteristic orris and violet-like odor. The commercially prepared product corresponds generally to the α-isomer.
Uses Perfumery, violet odor. The α isomer is also used as a flavoring agent.

Technology Process of alpha-Irone

There total 10 articles about alpha-Irone 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:

: 79-69-6,54082-69-8
6-methyl-α-ionone

Guidance literature:: α- u. γ-6-Methylcyclocitralen, Verseifung (Aceton/NaH);

Reference yield:

: 645-68-1,6754-31-0
pseudoirone

: 72074-86-3,54082-69-8
(+-)-4t-(2,5t,6,6-Tetramethyl-cyclohex-2-en-r-yl)-but-3-en-2-on

: 79-69-6,472-46-8,564-77-2,599-45-1,35124-13-1,35124-14-2,72074-85-2,72074-86-3,89888-03-9,90242-81-2,108032-56-0,108033-18-7,54082-69-8
(+/-)-α-Iron

Guidance literature:: With sulfuric acid; at 50 ℃;
DOI:10.1002/hlca.19470300625 DOI:10.1002/hlca.19480310331 DOI:10.1002/hlca.19490320637

Reference yield:

: 52567-96-1
3,6,7-trimethyl-oct-6-en-1-yn-3-ol

: 79-69-6,472-46-8,564-77-2,599-45-1,35124-13-1,35124-14-2,72074-85-2,72074-86-3,89888-03-9,90242-81-2,108032-56-0,108033-18-7,54082-69-8
(+/-)-α-Iron

Guidance literature:: Multi-step reaction with 5 steps

1: active iron; ethanol / Hydrogenation

2: pyridine; petroleum ether; PBr₃

3: potassium acetate; acetone / Verseifen des Acetats mit methylalkoholischer KOH

4: aluminium tert-butylate; benzene

5: aqueous sulfuric acid / 50 °C

With pyridine; ethanol; sulfuric acid; potassium acetate; phosphorus tribromide; iron; aluminum tri-tert-butoxide; acetone; Petroleum ether; benzene;
DOI:10.1002/hlca.19470300625