6-Methyl-2,4-heptanedione

Base Information Edit

Chemical Name:6-Methyl-2,4-heptanedione
CAS No.:3002-23-1
Molecular Formula:C8H14O2
Molecular Weight:142.198
Hs Code.:29141990
European Community (EC) Number:221-093-6
NSC Number:94
UNII:O97VUG08UB
DSSTox Substance ID:DTXSID5062768
Nikkaji Number:J110.622H
Wikidata:Q27285507
Metabolomics Workbench ID:5446
Mol file:3002-23-1.mol

Synonyms:6-Methyl-2,4-heptanedione;3002-23-1;6-Methylheptane-2,4-dione;2,4-Heptanedione, 6-methyl-;Isovalerylacetone;6-Methylheptan-2,4-dione;UNII-O97VUG08UB;O97VUG08UB;NSC 94;NSC-94;EINECS 221-093-6;AI3-11696;NSC94;6-methyl-2,4-heptandione;SCHEMBL110123;DTXSID5062768;CHEBI:180305;LMFA12000040;MFCD00008939;STL185628;AKOS004115498;6-Methyl-2,4-heptanedione, >=98%;AS-77990;CS-0095754;FT-0621234;M0597;D91362;J-017735;Q27285507

Suppliers and Price of 6-Methyl-2,4-heptanedione

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

Usbiological
6-Methylheptane-2,4-dione
100g
$ 955.00

TCI Chemical
6-Methyl-2,4-heptanedione >97.0%(GC)
5mL
$ 59.00

Sigma-Aldrich
6-Methyl-2,4-heptanedione ≥98%
25g
$ 285.00

Arctom
6-Methylheptane-2,4-dione 98%
5g
$ 96.00

Arctom
6-Methylheptane-2,4-dione 98%
1g
$ 28.00

American Custom Chemicals Corporation
6-METHYL-2,4-HEPTANEDIONE 95.00%
5G
$ 838.53

American Custom Chemicals Corporation
6-METHYL-2,4-HEPTANEDIONE 95.00%
1G
$ 626.08

American Custom Chemicals Corporation
6-METHYL-2,4-HEPTANEDIONE 95.00%
10G
$ 1174.02

Ambeed
6-Methylheptane-2,4-dione 98%
1g
$ 28.00

Ambeed
6-Methylheptane-2,4-dione 98%
5g
$ 97.00

Total 24 raw suppliers

Chemical Property of 6-Methyl-2,4-heptanedione Edit

Chemical Property:

Appearance/Colour:Clear colorless to pale yellow liquid
Vapor Pressure:0.0153mmHg at 25°C
Melting Point:25°C
Refractive Index:1.455-1.4577
Boiling Point:197.4 °C at 760 mmHg
PKA:9.23±0.10(Predicted)
Flash Point:69.6 °C
PSA：34.14000
Density:0.916 g/cm³
LogP:1.58070
Storage Temp.:2-8°C
Water Solubility.:It is insoluble in water.
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:142.099379685
Heavy Atom Count:10
Complexity:136

Purity/Quality:

98% ^*data from raw suppliers

6-Methylheptane-2,4-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aliphatic Ketones, Other
Canonical SMILES:CC(C)CC(=O)CC(=O)C
Uses 6-Methylheptane-2,4-dione, is used as a multipurpose intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceutical industry

Technology Process of 6-Methyl-2,4-heptanedione

There total 25 articles about 6-Methyl-2,4-heptanedione 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: 56.0%

: 1694-31-1
tert-butyl acetoacetate

: 108-12-3
isopentanoyl chloride

: 3002-23-1
6-methylheptan-2,4-dione

Guidance literature:: tert-butyl acetoacetate; With magnesium ethylate; In tetrachloromethane; diethyl ether; benzene; for 0.5h; Heating;

isopentanoyl chloride; In tetrachloromethane; diethyl ether; benzene; for 1h; Further stages.; Heating;
DOI:10.1016/j.tet.2007.09.059