2-Decanone

Base Information

• Chemical Name: 2-Decanone
• CAS No.: 693-54-9
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 29141990
• European Community (EC) Number: 211-752-6
• UNII: GX543OLT0R
• DSSTox Substance ID: DTXSID9022104
• Nikkaji Number: J79.790A
• Wikidata: Q20054515
• Metabolomics Workbench ID: 5450
• ChEMBL ID: CHEMBL47127
• Mol file: 693-54-9.mol

Synonyms:2-Decanone;Decan-2-one;693-54-9;METHYL OCTYL KETONE;Methyl n-octyl ketone;Octyl methyl ketone;n-C8H17COCH3;EINECS 211-752-6;UNII-GX543OLT0R;BRN 1747463;GX543OLT0R;CHEMBL47127;DTXSID9022104;CHEBI:77929;2-Decanone, >=98%;4-01-00-03367 (Beilstein Handbook Reference);MFCD00009571;2-Decanone, 98%;2-DECANONE [FHFI];SCHEMBL103053;DTXCID002104;2-Decanone, analytical standard;FEMA NO. 4271;Tox21_303799;BDBM50409665;LMFA12000044;AKOS009158912;NCGC00357084-01;AS-56271;CAS-693-54-9;LS-59391;D1643;FT-0612135;D89897;EN300-170618;A836446;Q20054515

Chemical Property of 2-Decanone

Chemical Property:

• Appearance/Colour: Clear very slight yellow liquid.
• Vapor Pressure: 0.248mmHg at 25°C
• Melting Point: 3.5 ºC
• Refractive Index: n20/D 1.425(lit.)
• Boiling Point: 211 ºC
• Flash Point: 71 ºC
• PSA: 17.07000
• Density: 0.825
• LogP: 3.32600
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in alcohol. Insoluble in water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 97

Purity/Quality:

98% ^*data from raw suppliers

2-Decanone >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCCCC(=O)C
• Uses: 2-Decanone was used in the synthesis of brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymers; methyl ketones. 2-decanone used as a solvent and an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used in perfumes. 2-Decanone was used in the synthesis of:brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymersmethyl ketones

Technology Process of 2-Decanone

There total 175 articles about 2-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: 98.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) → 5-decene (19689-19-1) + 4-decene (19689-18-0) + trans-3-decene (19150-21-1) + Decan-2-one (693-54-9) + 2-decene (20063-97-2,20348-51-0,6816-17-7)

Guidance literature:

With oxygen; 2,6-di-O-methyl-β-cyclodextrin; palladium(II) sulfate; H₉PV₆Mo₆O₄₀; copper(II) sulfate; In water; at 80 ℃; for 6h; under 750.06 Torr; Mechanism; Product distribution; influence of composition of catalytic mixture on selectivity of reaction;

Reference yield: 52.0%

oct-1-ene (111-66-0,25068-25-1) + 4-Phenyl-2-butanone (2550-26-7) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + Decan-2-one (693-54-9)

Guidance literature:

With 3-methylpyridin-2-ylamine; cyclohexylamine; benzoic acid; Wilkinson's catalyst; at 200 ℃; for 0.5h; microwave irradiation;

DOI:10.1002/adsc.200505233

Reference yield: 14.0%

decane (124-18-5) → Decan-2-one (693-54-9) + decan-4-one (624-16-8) + decan-3-one (928-80-3)

Guidance literature:

With tert.-butylhydroperoxide; manganese(II) acetate; trifluoroacetic acid; In acetonitrile; at 70 ℃; for 18h; under 15001.5 Torr; chemoselective reaction; Mechanism;

DOI:10.1039/c4cy00255e

upstream raw materials:

1,10-decanedioic acid

trans-3-decen-5-yn-2-one

dec-3-en-2-one

1-Decene

Downstream raw materials:

2-(1-methyl-nonylamino)-ethanol

2-Methyl-2-octyl-4-phenyl-2H-imidazole 1-oxide

3-(hydroxymethyl)-1-<(tert-butyldiphenylsilyl)oxy>-4-methyl-(E)-2-dodecen-4-ol

4-propylbutanolide

Refernces

• 1、 Hirao, Toshikazu,Higuchi, Masayoshi,Hatano, Bunpei,Ikeda, Isao. "A novel redox system for the palladium(II)-catalyzed oxidation based on redox of polyanilines". . p. 5925 - 5928. Retrieved 1995.
• 2、 Tsurumi. "-". . . Retrieved 1927.
• 3、 Carr,Schwartz. "-". . p. 638. Retrieved 1977.
• 4、 ?tv?s, Sándor B.,Fül?p, Ferenc,Szécsényi, Zsanett. "Bismuth subnitrate-catalyzed markovnikov-type alkyne hydrations under batch and continuous flow conditions". . . Retrieved 2021/05/31.
• 5、 Tolba, Amal Hassan,Vávra, Franti?ek,Chudoba, Josef,Cibulka, Radek. "Tuning Flavin-Based Photocatalytic Systems for Application in the Mild Chemoselective Aerobic Oxidation of Benzylic Substrates". supporting information. p. 1579 - 1585. Retrieved 2019/12/24.