2,5-Dimethyl-3-hexanone

Base Information

• Chemical Name: 2,5-Dimethyl-3-hexanone
• CAS No.: 1888-57-9
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 2914190090
• European Community (EC) Number: 679-747-5
• NSC Number: 940
• UNII: S52D4H3T92
• DSSTox Substance ID: DTXSID30172249
• Nikkaji Number: J110.703H
• Wikidata: Q83042364
• Mol file: 1888-57-9.mol

Synonyms:2,5-DIMETHYL-3-HEXANONE;1888-57-9;Isobutyl isopropyl ketone;2,5-dimethylhexan-3-one;3-Hexanone, 2,5-dimethyl-;2,5-dimethyl-hexan-3-one;NSC 940;NSC-940;S52D4H3T92;3-Hexanone, 2,5-dimethyl- (8CI)(9CI);3-Hexanone,2,5-dimethyl-;NSC940;isopropyl isobutyl ketone;3-Hexanone,5-dimethyl-;SCHEMBL109110;UNII-S52D4H3T92;(-)-ISOBORNEOLACETICACID;TUIWMHDSXJWXOH-UHFFFAOYSA-;DTXSID30172249;MFCD00048317;AKOS009157574;D1453;FT-0633896;T70480

Chemical Property of 2,5-Dimethyl-3-hexanone

Chemical Property:

• Melting Point: -32.24°C (estimate)
• Refractive Index: 1.4050-1.4090
• Boiling Point: 149.6 °C at 760 mmHg
• Flash Point: 34.2 °C
• PSA: 17.07000
• Density: 0.809 g/cm³
• LogP: 2.25760
• Solubility.: Chloroform, DCM
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 92.7

Purity/Quality:

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

Isobutyl Isopropyl Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CC(C)CC(=O)C(C)C
• Uses: Isobutyl Isopropyl Ketone is an naturally occurring compound found in Cinnamomum iners leaves. Isobutyl Isopropyl Ketone was scanned for cytotoxic activity.

Technology Process of 2,5-Dimethyl-3-hexanone

There total 26 articles about 2,5-Dimethyl-3-hexanone 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%

2,5-dimethyl-3-hexanol (19550-07-3,73672-36-3) → 2,5-dimethylhexan-3-one (1888-57-9)

Guidance literature:

With sodium dichromate; sulfuric acid; In diethyl ether; for 2.5h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00373-5

Reference yield: 52.0%

isopropylmagnesium chloride (1068-55-9) + isopentanoyl chloride (108-12-3) → 2,5-dimethylhexan-3-one (1888-57-9)

Guidance literature:

With manganese chloride bis(lithium chloride); In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/j.tet.2006.10.020

Reference yield: 43.0%

2,2,4,4-tetramethyl-1,3-cyclobutanedione (933-52-8) → 2,5-dimethylhexan-3-one (1888-57-9) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

With hydrogenchloride; acetic acid; zinc; for 5h; Heating;

DOI:10.1016/S0040-4020(01)85756-2

upstream raw materials:

diethyl ether

Ethyl isovalerate

isopropylmagnesium bromide

2,5-dimethyl-hexane-2,3-diol

Downstream raw materials:

propene

methyl 2-isopropyl-3-methylbutanoate

2,2,4-Trimethylpentansaeuremethylester

isobutene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1888-57-9 2,5-DIMETHYL-3-HEXANONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send