1,3,3-Trimethylcyclohexene

Base Information

Chemical Name:1,3,3-Trimethylcyclohexene
CAS No.:503-47-9
Molecular Formula:C9H16
Molecular Weight:124.226
Hs Code.:2902199090
European Community (EC) Number:207-970-6
DSSTox Substance ID:DTXSID30198303
Nikkaji Number:J182.254C
Wikidata:Q83071076
Mol file:503-47-9.mol

Synonyms:1,3,3-Trimethylcyclohexene;503-47-9;EINECS 207-970-6;2,6,6-trimethylcyclohexene;2,6,6-trimethylcyclohex-1-en;Cyclohexene, 1,3,3-trimethyl-;DTXSID30198303;FFIDVTCKFVYQCZ-UHFFFAOYSA-N

Suppliers and Price of 1,3,3-Trimethylcyclohexene

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

Total 8 raw suppliers

Chemical Property of 1,3,3-Trimethylcyclohexene

Chemical Property:

Vapor Pressure:8.22mmHg at 25°C
Boiling Point:138.8°Cat760mmHg
Flash Point:21.9°C
PSA：0.00000
Density:0.795g/cm³
LogP:3.14280
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:124.125200510
Heavy Atom Count:9
Complexity:129

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(CCC1)(C)C

Technology Process of 1,3,3-Trimethylcyclohexene

There total 14 articles about 1,3,3-Trimethylcyclohexene 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: 75.0%

: 849405-73-8
3,3-dimethylcyclohex-1-en-1-yl trifluoromethanesulfonate

: 75-16-1
methylmagnesium bromide

: 503-47-9
1,3,3-trimethyl-1-cyclohexene

Guidance literature:: iron(III)-acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; at -30 ℃; for 1h;
DOI:10.1021/ja073435w

Reference yield: 55.0%

: 41780-73-8
2,2,6-trimethylcyclohexanone tosylhydrazone

: 503-47-9
1,3,3-trimethyl-1-cyclohexene

Guidance literature:: With n-butyllithium; In diethyl ether; for 24h; Reflux;
DOI:10.1016/j.tetlet.2009.07.067

Reference yield:

: 37779-25-2
1,5,5-trimethylcyclohex-2-ene-1-ol

: 503-47-9
1,3,3-trimethyl-1-cyclohexene

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / hydrogen / Pd/C / ethanol / 1 h / 20 °C / 2585.74 Torr

2: p-toluenesulfonic acid / toluene / 2 h / Heating

With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol; toluene; 2: Kondakov reaction;
DOI:10.1080/00397910601038988