2,6-Dimethylheptan-3-one

Base Information

Chemical Name:2,6-Dimethylheptan-3-one
CAS No.:19549-83-8
Molecular Formula:C9H18 O
Molecular Weight:142.241
Hs Code.:2914190090
European Community (EC) Number:243-149-9
NSC Number:155180
UNII:56924GH37X
DSSTox Substance ID:DTXSID20173220
Nikkaji Number:J110.596E
Wikidata:Q27261390
Mol file:19549-83-8.mol

Synonyms:2,6-Dimethylheptan-3-one;2,6-Dimethyl-3-heptanone;19549-83-8;3-Heptanone, 2,6-dimethyl-;3-Heptanone,2,6-dimethyl-;UNII-56924GH37X;EINECS 243-149-9;56924GH37X;NSC-155180;2,6-dimethyl-heptan-3-one;NSC155180;3-Heptanone,6-dimethyl-;2,6-dimethyl-3 -heptanone;SCHEMBL800723;DTXSID20173220;AKOS009390612;NSC 155180;Q27261390

Suppliers and Price of 2,6-Dimethylheptan-3-one

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

TRC
2,6-Dimethyl-3-heptanone
100mg
$ 60.00

TRC
2,6-Dimethyl-3-heptanone
50mg
$ 45.00

Sigma-Aldrich
2,6-DIMETHYL-3-HEPTANONE Aldrich
250mg
$ 33.40

Total 6 raw suppliers

Chemical Property of 2,6-Dimethylheptan-3-one

Chemical Property:

Vapor Pressure:1.48mmHg at 25°C
Melting Point:-18.52°C (estimate)
Refractive Index:1.4181 (estimate)
Boiling Point:170.3°Cat760mmHg
Flash Point:44.7°C
PSA：17.07000
Density:0.812g/cm³
LogP:2.64770
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:142.135765193
Heavy Atom Count:10
Complexity:103

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dimethyl-3-heptanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,6-Dimethylheptan-3-one

There total 11 articles about 2,6-Dimethylheptan-3-one 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:

: 78-82-0
Isobutyronitrile

: 107-82-4
i-pentyl bromide

: 19549-83-8
2,6-dimethyl-3-heptanone

Guidance literature:: i-pentyl bromide; With magnesium; In diethyl ether; for 0.5h;

Isobutyronitrile; copper(I) bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 1h;

Reference yield:

: 62823-51-2
2,2-dimethyl-3-(3-methylbut-3-en-1-yl)oxirane

: 19549-83-8
2,6-dimethyl-3-heptanone

Guidance literature:: Multi-step reaction with 3 steps

1: BF₃-Et₂O / diethyl ether

2: H₂ / Pd-BaSO₄ / ethanol

3: BF₃-Et₂O / diethyl ether

With boron trifluoride diethyl etherate; hydrogen; palladium on barium sulfate; In diethyl ether; ethanol;
DOI:10.1021/ja00879a022

Reference yield:

: 684-75-3
2-fluoro-2,6-dimethyl-hept-6-en-3-ol

: 19549-83-8
2,6-dimethyl-3-heptanone

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd-BaSO₄ / ethanol

2: BF₃-Et₂O / diethyl ether

With boron trifluoride diethyl etherate; hydrogen; palladium on barium sulfate; In diethyl ether; ethanol;
DOI:10.1021/ja00879a022