2,6,6-Trimethyl-2-cyclohexene-1,4-dione

Base Information Edit

Chemical Name:2,6,6-Trimethyl-2-cyclohexene-1,4-dione
CAS No.:1125-21-9
Molecular Formula:C9H12O2
Molecular Weight:152.193
Hs Code.:29142900
European Community (EC) Number:214-406-2
UNII:72WY3KLB5R
DSSTox Substance ID:DTXSID9021685
Nikkaji Number:J94.748B
Wikidata:Q1490748
Metabolomics Workbench ID:48909
Mol file:1125-21-9.mol

Synonyms:ketoisophorone

Suppliers and Price of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

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
4-Oxoisophorone
100g
$ 180.00

TCI Chemical
4-Ketoisophorone >98.0%(GC)
25g
$ 60.00

Sigma-Aldrich
4-Oxoisophorone ≥98%, FG
100 g
$ 74.00

Sigma-Aldrich
4-Oxoisophorone ≥98%, FG
100g-k
$ 74.00

Sigma-Aldrich
2,6,6-Trimethyl-2-cyclohexene-1,4-dione 98%
25g
$ 62.50

Sigma-Aldrich
2,6,6-Trimethyl-2-cyclohexene-1,4-dione analytical standard
100mg
$ 62.10

Sigma-Aldrich
4-Oxoisophorone ≥98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
4-Oxoisophorone ≥98%, FG
sample-k
$ 50.00

Sigma-Aldrich
4-Oxoisophorone ≥98%, FG
1 kg
$ 316.00

Sigma-Aldrich
4-Oxoisophorone ≥98%, FG
1kg-k
$ 316.00

Total 123 raw suppliers

Chemical Property of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione Edit

Chemical Property:

Appearance/Colour:clear yellow to orange liquid or low melting solid
Vapor Pressure:0.158mmHg at 25°C
Melting Point:26-28 °C(lit.)
Refractive Index:n20/D 1.491(lit.)
Boiling Point:214.2 °C at 760 mmHg
Flash Point:84.9 °C
PSA：34.14000
Density:1.02 g/cm³
LogP:1.50080
Storage Temp.:Store below +30°C.
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:152.083729621
Heavy Atom Count:11
Complexity:246

Purity/Quality:

98% ^*data from raw suppliers

4-Oxoisophorone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 22-43-36/37/38
Safety Statements: 26-36/37-37/39-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)CC(C1=O)(C)C
Uses 4-Oxoisophorone is one of the major components of saffron (Crocus sativus L.) and also found to be a product of degradation of carotenoids in paprika, tomato and marigold oleoresins.

Technology Process of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

There total 28 articles about 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 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: 93.0%

: 471-01-2
3,5,5-trimethylcyclohex-3-en-1-one

: 1125-21-9
2,6,6-trimethyl-2-cyclohexene-1,4-dione

Guidance literature:: With diisobutyl ketone; oxygen; 1,4-diaza-bicyclo[2.2.2]octane; at 40 ℃; for 5h;

Reference yield: 79.0%

: 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one

: 1125-21-9
2,6,6-trimethyl-2-cyclohexene-1,4-dione

Guidance literature:: With tert.-butylhydroperoxide; cobalt acetylacetonate; In acetone; at 28 ℃; for 15h; Solvent; Concentration; Temperature;
DOI:10.1055/s-0032-1318172

Reference yield: 67.0%

: 471-01-2
3,5,5-trimethylcyclohex-3-en-1-one

: 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one

: 1125-21-9
2,6,6-trimethyl-2-cyclohexene-1,4-dione

: 14203-59-9
4-hydroxy-3,5,5-trimethyl-cyclohex-2-enone

Guidance literature:: With Tri-n-octylamine; sodium tungstate (VI) dihydrate; phosphoric acid; dihydrogen peroxide; In water; at 70 ℃; for 2h; pH=1.5 - 2; Temperature; Reagent/catalyst;