2-Methyloctan-3-one

Base Information

• Chemical Name: 2-Methyloctan-3-one
• CAS No.: 923-28-4
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2914190090
• European Community (EC) Number: 213-092-4
• NSC Number: 21982
• UNII: Y5UD2Y63N6
• DSSTox Substance ID: DTXSID10238958
• Nikkaji Number: J113.962B
• Wikidata: Q83121296
• Mol file: 923-28-4.mol

Synonyms:2-Methyloctan-3-one;923-28-4;2-Methyl-3-octanone;n-AMYL ISOPROPYL KETONE;3-Octanone, 2-methyl-;N-AMYLISOPROPYLKETONE;Isopropyl pentyl ketone;Y5UD2Y63N6;EINECS 213-092-4;NSC-21982;NSC21982;AMYL ISOPROPYL KETONE;UNII-Y5UD2Y63N6;SCHEMBL1272620;DTXSID10238958;NSC 21982;AKOS009157471;FT-0612952

Chemical Property of 2-Methyloctan-3-one

Chemical Property:

• Vapor Pressure: 0.809mmHg at 25°C
• Melting Point: -18.52°C (estimate)
• Refractive Index: 1.4202 (estimate)
• Boiling Point: 182.5°Cat760mmHg
• Flash Point: 59.1°C
• PSA: 17.07000
• Density: 0.814g/cm³
• LogP: 2.79180
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

N-AmylIsopropylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C(C)C

Technology Process of 2-Methyloctan-3-one

There total 29 articles about 2-Methyloctan-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: 100.0%

C9H18OS (133619-39-3,133619-43-9) → 2-methyloctan-3-one (923-28-4)

Guidance literature:

Ambient temperature;

DOI:10.1016/S0040-4039(00)74874-X

Reference yield: 96.0%

2-methyloct-1-en-3-ol (37156-89-1) → 2-methyloctan-3-one (923-28-4)

Guidance literature:

hydridotris(triphenylphosphine)rhodium; In tetrahydrofuran; Heating;

DOI:10.1002/1099-0690(200108)2001:16<3141::AID-EJOC3141>3.0.CO;2-Y

Reference yield: 83.0%

isopropyl amyl carbinol (26533-34-6) → 2-methyloctan-3-one (923-28-4)

Guidance literature:

With lead(IV) acetate; potassium bromide; at 20 ℃; for 4h;

DOI:10.1007/BF02494921

upstream raw materials:

formic acid

2,3-epoxy-3-methyl-2-pentyl-butyric acid ethyl ester

isopropyl amyl carbinol

isopropylzinc iodide

Downstream raw materials:

isopropyl amyl carbinol