2-Methyl-4-decanone

Base Information

• Chemical Name: 2-Methyl-4-decanone
• CAS No.: 6628-25-7
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 654-630-1
• NSC Number: 60558
• DSSTox Substance ID: DTXSID80216480
• Nikkaji Number: J1.765.988J
• Wikidata: Q83092710
• Mol file: 6628-25-7.mol

Synonyms:2-Methyl-4-decanone;N-HEXYL ISOBUTYL KETONE;2-methyldecan-4-one;6628-25-7;NSC60558;dimethyl-3-nonanone;SCHEMBL7943937;DTXSID80216480;NSC 60558;NSC-60558;AKOS011914715;FT-0636207

Chemical Property of 2-Methyl-4-decanone

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Melting Point: 8.52°C (estimate)
• Refractive Index: 1.424
• Boiling Point: 217.7 °C at 760 mmHg
• Flash Point: 81.8 °C
• PSA: 17.07000
• Density: 0.82 g/cm³
• LogP: 3.57200
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

N-HEXYL ISOBUTYL KETONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)CC(C)C

Technology Process of 2-Methyl-4-decanone

There total 3 articles about 2-Methyl-4-decanone 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:

1-hexene (592-41-6,25067-06-5) + 3-methyl-2-buten-1-ol (556-82-1) → 2-methyl-decan-4-one (6628-25-7) + 2-Methyl-2-decen-4-one (66917-82-6)

Guidance literature:

With 2-Amino-4-methylpyridine; benzoic acid; RhCl(PPh₃)3; at 130 ℃; for 4h;

DOI:10.1021/jo025541g

Reference yield:

2-methyl-decan-4-ol (25564-57-2) → 2-methyl-decan-4-one (6628-25-7)

Guidance literature:

With potassium permanganate; sulfuric acid;

DOI:10.1021/ja01154a064

Reference yield:

heptanal (111-71-7) + ethyl 3-methylbut-2-enoate (638-10-8) → 2-methyl-decan-4-one (6628-25-7) + 5-((Ξ)-hexylidene)-4,4-dimethyl-dihydro-furan-2-one (105540-08-7)

Guidance literature:

With nitrogen; dibenzoyl peroxide; Erhitzen des Reaktionsprodukts mit 10%ig. wss. Natronlauge;

DOI:10.1039/jr9570001342

upstream raw materials:

heptanal

ethyl 3-methylbut-2-enoate

2-methyl-decan-4-ol

1-hexene

Refernces