6-Chlorohexan-2-one

Base Information

• Chemical Name: 6-Chlorohexan-2-one
• CAS No.: 10226-30-9
• Molecular Formula: C6H11 Cl O
• Molecular Weight: 134.606
• Hs Code.: 29141990
• European Community (EC) Number: 233-546-5
• DSSTox Substance ID: DTXSID50144847
• Nikkaji Number: J227.122B
• Wikidata: Q72451677
• Mol file: 10226-30-9.mol

Synonyms:6-Chloro-2-hexanone;6-Chlorohexan-2-one;10226-30-9;1-Chloro-5-hexanone;2-Hexanone, 6-chloro-;4-Chlorobutyl Methyl Ketone;MFCD00191625;EINECS 233-546-5;1-chlorohexan-5-one;1-chloro-hexan-5-one;6-chloro-hexan-2-one;6-Chloro-2-hexanone, 97%;SCHEMBL1115670;DTXSID50144847;AKOS000121117;AM90172;CS-W013363;AS-57600;FT-0607634;EN300-26858;D89394;A800551;A1-01703;W-108879

Chemical Property of 6-Chlorohexan-2-one

Chemical Property:

• Appearance/Colour: Clear yellow to brown liquid
• Vapor Pressure: 0.224mmHg at 25°C
• Refractive Index: n20/D 1.4435(lit.)
• Boiling Point: 207.6 °C at 760 mmHg
• Flash Point: 91.6 °C
• PSA: 17.07000
• Density: 0.989 g/cm³
• LogP: 1.98450
• Storage Temp.: Freezer
• Water Solubility.: Insoluble in water, soluble in chloroform (chloroform, carbon), n-heptane, ethanol, butanol, etc.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

99.9% ^*data from raw suppliers

6-Chloro-2-hexanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CCCCCl
• Uses: 6-Chloro-2-hexanone in the synthesis of the keto analogs began with 6-chloro-2-hexanone. Substituted 7-(oxoalkyl)theophyllines were synthesized by alkylation of the respective theophyllines with 6-chloro-2-hexanone.

Technology Process of 6-Chlorohexan-2-one

There total 24 articles about 6-Chlorohexan-2-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%

1-methylcyclopentanol (1462-03-9) → 6-chloro-2-hexanone (10226-30-9)

Guidance literature:

With sodium hydrogencarbonate; iron(II) sulfate; In tetrachloromethane; Ambient temperature; in the dark;

DOI:10.1016/0040-4020(81)85021-1

Reference yield: 99.0%

1-chloro-5-hexyne (10297-06-0) → 6-chloro-2-hexanone (10226-30-9)

Guidance literature:

With (cyclohexylisocyanide)gold(I) chloride; water; potassium tetrakis(pentafluorophenyl)borate; In methanol; at 20 ℃; for 24h; Reagent/catalyst;

DOI:10.1039/c4gc01322k

Reference yield: 99.0%

6-chlorohexene (928-89-2) → 6-chloro-2-hexanone (10226-30-9)

Guidance literature:

With copper(l) iodide; oxygen; palladium dichloride; In water; N,N-dimethyl-formamide; for 48h;

upstream raw materials:

6-hydroxy-2-hexanone

1-methylcyclopentyl hypochlorite

1-methylcyclopentanol

1-methyl-cyclopentyl hydroperoxide

Downstream raw materials:

1-methylcyclopentanol

(Z)-6-chloro-1-fluoro-2-methyl-1-(phenylsulfonyl)-1-hexene

(R)-6-chlorohexan-2-ol

(S)-(+)-6-chlorohexan-2-ol