3-Cyano-3,5,5-trimethylcyclohexanone

Base Information Edit

Chemical Name:3-Cyano-3,5,5-trimethylcyclohexanone
CAS No.:7027-11-4
Deprecated CAS:144975-27-9,78948-79-5,137353-71-0,78948-79-5
Molecular Formula:C10H15 N O
Molecular Weight:165.235
Hs Code.:2926909090
European Community (EC) Number:411-490-4
NSC Number:171143
UNII:0IBM7D6DSA
DSSTox Substance ID:DTXSID8029284
Nikkaji Number:J23.556C
Wikidata:Q27236819
Mol file:7027-11-4.mol

Synonyms:Isophoronenitrile;7027-11-4;3-Cyano-3,5,5-trimethylcyclohexanone;1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile;1,3,3-trimethyl-5-oxocyclohexanecarbonitrile;5-oxo-1,3,3-trimethyl-cyclohexanecarbonitril;0IBM7D6DSA;Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-;3,3,5-Trimethyl-5-cyanocyclohexanone;AI3-37061;5-Oxo-1,3,3-trimethylcyclohexanecarbonitrile;NSC-171143;Cychohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-;Cyclohexanecarbonitrile, 5-oxo-1,3,3-trimethyl-;isophorone nitrile;NSC171143;UNII-0IBM7D6DSA;SCHEMBL647137;DTXSID8029284;AKOS006277145;NSC 171143;3-cyano-3,5,5-trimethyl cyclohexanone;J23.556C;LS-56540;CS-0261322;EC 411-490-4;1,3,3-trimethyl-5-oxo-1-cyclohexanecarbonitrile;EN300-7814060;A840570;Q27236819;1,3,3-trimethyl-5-oxidanylidene-cyclohexane-1-carbonitrile

Suppliers and Price of 3-Cyano-3,5,5-trimethylcyclohexanone

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

Matrix Scientific
1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile 97%
1g
$ 341.00

Atlantic Research Chemicals
1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile 95%
1gm:
$ 562.00

American Custom Chemicals Corporation
1,3,3-TRIMETHYL-5-OXOCYCLOHEXANECARBONITRILE 95.00%
5MG
$ 505.88

AK Scientific
3-Cyano-3,5,5-trimethylcyclohexanone
1g
$ 510.00

Total 17 raw suppliers

Chemical Property of 3-Cyano-3,5,5-trimethylcyclohexanone Edit

Chemical Property:

Vapor Pressure:3.4E-18mmHg at 25°C
Melting Point:66-67 °C
Refractive Index:1.701
Boiling Point:677.2°C at 760 mmHg
Flash Point:363.3°C
PSA：40.86000
Density:1.53g/cm³
LogP:2.29548
Water Solubility.:4.76g/L at 20℃
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:165.115364102
Heavy Atom Count:12
Complexity:258

Purity/Quality:

99.9% ^*data from raw suppliers

1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): A poison by ingestion. Low toxicity by skin contact. A mild eye irritant.
Hazard Codes:Xn
Statements: 22-43-48/22-52/53
Safety Statements: 36/37-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)CC(C1)(C)C#N)C

Technology Process of 3-Cyano-3,5,5-trimethylcyclohexanone

There total 14 articles about 3-Cyano-3,5,5-trimethylcyclohexanone 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: 96.2%