2,6,8-Trimethyl-4-nonanone

Base Information

• Chemical Name: 2,6,8-Trimethyl-4-nonanone
• CAS No.: 123-18-2
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• European Community (EC) Number: 204-607-3
• NSC Number: 66186
• UNII: Q95W9K98Y8
• DSSTox Substance ID: DTXSID7026998
• Nikkaji Number: J219.549F
• Wikidata: Q27287135
• ChEMBL ID: CHEMBL3187270
• Mol file: 123-18-2.mol

Synonyms:2,6,8-Trimethyl-4-nonanone;123-18-2;2,6,8-Trimethylnonan-4-one;4-NONANONE, 2,6,8-TRIMETHYL-;Isobutyl heptyl ketone;EINECS 204-607-3;NSC 66186;UNII-Q95W9K98Y8;DTXSID7026998;Q95W9K98Y8;NSC-66186;DTXCID306998;CAS-123-18-2;NSC66186;2,8-Trimethyl-4-nonanone;4-Nonanone,6,8-trimethyl-;SCHEMBL533969;CHEMBL3187270;tert-Butyl3-isothiocyanatopropionate;Tox21_201537;Tox21_303158;MFCD00048361;2,4,8-TRIMETHYLNONAN-6-ONE;AKOS024348837;2,6,8 - trimethylnonan - 4 - one;NCGC00249064-01;NCGC00256936-01;NCGC00259087-01;NONAN-4-ONE, 2,6,8-TRIMETHYL-;LS-164128;FT-0702252;Q27287135

Chemical Property of 2,6,8-Trimethyl-4-nonanone

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Melting Point: -75.15°C
• Refractive Index: 1.4233
• Boiling Point: 218.9°Cat760mmHg
• Flash Point: 63.1°C
• PSA: 17.07000
• Density: 0.819g/cm³
• LogP: 3.67390
• Water Solubility.: Soluble in alcohol and insoluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)CC(=O)CC(C)C

Technology Process of 2,6,8-Trimethyl-4-nonanone

There total 12 articles about 2,6,8-Trimethyl-4-nonanone 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:

di-isopropyl ether (108-20-3) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 2,6,8-trimethylnonan-4-one (123-18-2) + diisobutyl ketone (108-83-8) + isopropyl alcohol (67-63-0,8013-70-5) + butanone (78-93-3) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

With water; sulfuric acid; at 65 - 315 ℃; under 760.228 - 72402.6 Torr;

Reference yield:

acetone (67-64-1) → 4-methyl-pent-3-en-2-one (141-79-7) + 2,6,8-trimethylnonan-4-one (123-18-2) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

With hydrogen; at 20 - 180 ℃; for 1.5h; under 5625.56 Torr; Autoclave;

DOI:10.1039/b922061e

Reference yield:

acetone (67-64-1) → 2,6,8-trimethylnonan-4-one (123-18-2) + diisobutyl ketone (108-83-8) + 4-methyl-2-pentanone (108-10-1) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

With hydrogen; sodium; magnesium oxide; palladium; at 200 ℃; for 6h; under 760 Torr; Further Variations:; Catalysts; Temperatures; contact time; Product distribution;

DOI:10.1002/jccs.200200132

upstream raw materials:

2,6,8-trimethyl-6-hydroxy-4-nonanone

2,6,8-trimethyl-4-nonanol

acetone

1-Bromo-2,4-dimethylpentane

Downstream raw materials:

2,6,8-trimethyl-4-nonanone