1-Phenylpentan-2-one

Base Information

• Chemical Name: 1-Phenylpentan-2-one
• CAS No.: 6683-92-7
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• European Community (EC) Number: 229-726-8
• UNII: 36VW7X5C4P
• DSSTox Substance ID: DTXSID70216954
• Nikkaji Number: J113.060I
• Wikidata: Q27256592
• Mol file: 6683-92-7.mol

Synonyms:1-Phenylpentan-2-one;6683-92-7;1-Phenyl-2-pentanone;2-Pentanone, 1-phenyl-;Benzyl propyl ketone;1-phenyl-pentan-2-one;UNII-36VW7X5C4P;36VW7X5C4P;EINECS 229-726-8;AI3-24761;o-toluoylchloride;1-phenylpentanone;Propyl-benzyl-keton;benzyl-propyl-ketone;SCHEMBL107900;DTXSID70216954;AMY23646;MFCD00027142;AKOS010016483;CS-W016112;DS-6354;FT-0636235;EN300-64980;F19922;A835562;Q27256592;Z513733628

Chemical Property of 1-Phenylpentan-2-one

Chemical Property:

• Vapor Pressure: 0.0885mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 225 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 17.07000
• Density: 0.96 g/cm³
• LogP: 2.59830
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Sparingly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-2-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)CC1=CC=CC=C1
• Uses: 1-Phenyl-2-pentanone is an aryl ketone that may be a useful repellent in pesticides toxic to honeybees.

Technology Process of 1-Phenylpentan-2-one

There total 83 articles about 1-Phenylpentan-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%

benzyl propyl ketone tosylhydrazone (69246-01-1) → 1-phenylpentan-2-one (6683-92-7)

Guidance literature:

With copper(II) sulfate; In tetrahydrofuran; methanol; water; for 2h; Heating;

Reference yield: 94.0%

diphenyl acetylene (501-65-5) + ((E)-But-2-enyl)-(3-methyl-pyridin-2-yl)-amine (256379-29-0) → 1-phenylpentan-2-one (6683-92-7)

Guidance literature:

diphenyl acetylene; ((E)-But-2-enyl)-(3-methyl-pyridin-2-yl)-amine; With Wilkinson's catalyst; cyclohexylamine; benzoic acid; In toluene; at 130 ℃; for 12h;

With water; hydrogen cation; Further stages.;

DOI:10.1021/ja011053z

Reference yield: 94.0%

1-Bromo-2-phenylpentan-2-ol (180348-12-3) → 1-phenylpentan-2-one (6683-92-7)

Guidance literature:

With diethylzinc; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jo800231s

upstream raw materials:

butanoic acid anhydride

phenylacetic acid

2-n-propyl-3-phenyloxirane

(E)-3-Ureido-but-2-enoic acid ethyl ester

Downstream raw materials:

5-phenylnonan-4-one

pentylbenzene

1-phenyl-2-pentanol

1-phenyl-pentan-2-one semicarbazone