5,5-Dimethylhexane-2,4-dione

Base Information

Chemical Name:5,5-Dimethylhexane-2,4-dione
CAS No.:7307-04-2
Molecular Formula:C8H14O2
Molecular Weight:142.198
Hs Code.:29141990
European Community (EC) Number:230-760-0
DSSTox Substance ID:DTXSID90223342
Nikkaji Number:J47.869E
Wikidata:Q63409387
Mol file:7307-04-2.mol

Synonyms:5,5-Dimethylhexane-2,4-dione;7307-04-2;2,2-DIMETHYL-3,5-HEXANEDIONE;2,4-Hexanedione, 5,5-dimethyl-;pivaloylacetone;Pivaloylacetone, keto form;5,5-Dimethyl-2,4-hexanedione;SCHEMBL46501;2,2-dimethylhexan-3,5-dione;5,5-Dimethyl-hexan-2,4-dione;DTXSID90223342;5,5-Dimethyl-hexane-2,4-dione;5,5-Dimethyl-2,4-hexanedione #;AMY11711;EINECS 230-760-0;MFCD00142767;STL302035;AKOS004115499;5,5-DIMETHYLHEXAN-2,4-DIONE;CS-W018289;SC11833;2,2-Dimethyl-3,5-hexanedione, 97%;2,2-DIMETHYLHEXANE-3,5-DIONE;AS-47174;AI3-19023;FT-0619786;F12458;A918314;Q63409387;5,5-DIMETHYL-2,4-HEXANEDIONE;5,5-DIMETHYLHEXANE-2,4-DIONE

Suppliers and Price of 5,5-Dimethylhexane-2,4-dione

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
5,?5-?Dimethylhexane-?2,?4-?dione
250mg
$ 45.00

Strem Chemicals
2,2-Dimethyl-3,5-hexanedione, min. 97%
25g
$ 683.00

Strem Chemicals
2,2-Dimethyl-3,5-hexanedione, min. 97%
5g
$ 171.00

Strem Chemicals
2,2-Dimethyl-3,5-hexanedione, min. 97%
1g
$ 43.00

Sigma-Aldrich
2,2-Dimethyl-3,5-hexanedione 97%
1g
$ 39.00

Crysdot
5,5-Dimethylhexane-2,4-dione 95+%
10g
$ 314.00

Biosynth Carbosynth
2,2-Dimethyl-3,5-hexanedione
10 g
$ 800.00

Biosynth Carbosynth
2,2-Dimethyl-3,5-hexanedione
1 g
$ 100.00

Biosynth Carbosynth
2,2-Dimethyl-3,5-hexanedione
2 g
$ 190.00

Biosynth Carbosynth
2,2-Dimethyl-3,5-hexanedione
500 mg
$ 65.00

Total 17 raw suppliers

Chemical Property of 5,5-Dimethylhexane-2,4-dione

Chemical Property:

Appearance/Colour:Clear colorless to pale yellow liquid
Vapor Pressure:0.024mmHg at 25°C
Melting Point:105-106 °C
Refractive Index:1.4600
Boiling Point:190.8 °C at 760mmHg
PKA:pK1:10.01 (25°C)
Flash Point:66.7 °C
PSA：34.14000
Density:0.918 g/cm³
LogP:1.58070
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:3.327g/L(25 oC)
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:142.099379685
Heavy Atom Count:10
Complexity:151

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,?5-?Dimethylhexane-?2,?4-?dione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 10-22
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC(=O)C(C)(C)C
Uses 5,?5-?Dimethylhexane-?2,?4-?dione is a useful reactant for the synthesis RhIII and IrIII half sandwich compounds which had good antimicrobial properties against Mycobacterium smegmatis.

Technology Process of 5,5-Dimethylhexane-2,4-dione

There total 14 articles about 5,5-Dimethylhexane-2,4-dione 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: 90.0%

: 33663-62-6
5-amino-2,2-dimethylhex-4-en-3-one

: 7307-04-2
acetylpinacolin

Guidance literature:: With sulfuric acid; In ethanol; for 2h; Heating;

Reference yield: 55.0%

: 7307-04-2
acetylpinacolin

Guidance literature:: With sodium amide;

Reference yield: 54.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 141-78-6
ethyl acetate

: 7307-04-2
acetylpinacolin

Guidance literature:: With sodium hydride; In diethyl ether; mineral oil; at 40 - 50 ℃; Inert atmosphere;
DOI:10.1016/j.jorganchem.2014.11.008