1-(4-Hexylphenyl)prop-2-en-1-one

Base Information

Chemical Name:1-(4-Hexylphenyl)prop-2-en-1-one
CAS No.:131906-57-5
Molecular Formula:C15H20O
Molecular Weight:216.3187
Hs Code.:
European Community (EC) Number:634-341-7
UNII:MA965OF9ZR
ChEMBL ID:CHEMBL237600
DSSTox Substance ID:DTXSID40565143
Metabolomics Workbench ID:151234
Nikkaji Number:J398.079K
Wikidata:Q27097314
Mol file:131906-57-5.mol

Synonyms:1-(4-hexylphenyl)prop-2-en-1-one;131906-57-5;1-(4-HEXYLPHENYL)-2-PROPEN-1-ONE;1-(4-Hexyphenyl)-2-propane-1-one;cpd L3;L3 Antagonist TR-SIR-2;MA965OF9ZR;2-Propen-1-one, 1-(4-hexylphenyl)-;Enone, 1;UNII-MA965OF9ZR;CHEMBL237600;SCHEMBL2583757;BDBM18825;DTXSID40565143;MFCD08702653;DB08085;NCGC00165805-01;NCGC00165805-02;PD004761;NS00071003;J-006082;Q27097314

Suppliers and Price of 1-(4-Hexylphenyl)prop-2-en-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
1-(4-Hexyphenyl)-2-propane-1-one ≥98% (HPLC), oil
5mg
$ 342.00

American Custom Chemicals Corporation
1-(4-HEXYPHENYL)-2-PROPANE-1-ONE 95.00%
5MG
$ 899.51

Total 2 raw suppliers

Chemical Property of 1-(4-Hexylphenyl)prop-2-en-1-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.506
Boiling Point:320.627°C at 760 mmHg
Flash Point:133.809°C
PSA：17.07000
Density:0.935g/cm³
LogP:4.17810
Storage Temp.:−20°C
Solubility.:DMSO: >5mg/mL
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:216.151415257
Heavy Atom Count:16
Complexity:212

Purity/Quality:

95% ^*data from raw suppliers

1-(4-Hexyphenyl)-2-propane-1-one ≥98% (HPLC), oil ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CC=C(C=C1)C(=O)C=C

Technology Process of 1-(4-Hexylphenyl)prop-2-en-1-one

There total 4 articles about 1-(4-Hexylphenyl)prop-2-en-1-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: 55.0%

: 1077-16-3
hexylbenzene

: 814-68-6,25189-84-8
acryloyl chloride

: 131906-57-5
1-(4-hexylphenyl)-2-propen-1-one

: 3-chloro-1-(4-hexylphenyl)propan-1-one

Guidance literature:: With aluminium trichloride; In dichloromethane; at 20 ℃; for 2h; Title compound not separated from byproducts.;
DOI:10.1021/jm070556y

Reference yield:

: C₁₅H₂₁BrO

: 131906-57-5
1-(4-hexylphenyl)-2-propen-1-one

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; at 20 ℃; for 2h;
DOI:10.1021/jm070556y

Reference yield:

: 131906-71-3
1-(4-Hexyl-phenyl)-2-phenylselanyl-propan-1-one

: 131906-57-5
1-(4-hexylphenyl)-2-propen-1-one

Guidance literature:: With sodium periodate; sodium hydrogencarbonate; In methanol; water; at 25 ℃; for 1h; Yield given;
DOI:10.1021/jo00007a041