1-Phenyl-1,3-octadecanedione

Base Information

• Chemical Name: 1-Phenyl-1,3-octadecanedione
• CAS No.: 17281-74-2
• Molecular Formula: C24H38 O2
• Molecular Weight: 358.565
• Hs Code.: 2914399090
• European Community (EC) Number: 241-313-4
• UNII: JQH2H7EVAZ
• DSSTox Substance ID: DTXSID10169410
• Nikkaji Number: J202.676G
• Wikidata: Q27281636
• Metabolomics Workbench ID: 46975
• Mol file: 17281-74-2.mol

Synonyms:1-Phenyloctadecane-1,3-dione;1-Phenyl-1,3-octadecanedione;17281-74-2;JQH2H7EVAZ;UNII-JQH2H7EVAZ;EINECS 241-313-4;palmitoylbenzoylmethane;Hexadecanoylbenzoylmethane;1-Benzoyl-2-heptadecanone;BENZOYLPALMITOYLMETHANE;SCHEMBL599568;1 -Phenyloctadecane-1,3-Dione;DTXSID10169410;1,3-Octadecanedione, 1-phenyl-;CHEBI:177396;MFCD32206194;AKOS037645252;AS-59291;D93303;Q27281636

Chemical Property of 1-Phenyl-1,3-octadecanedione

Chemical Property:

• Vapor Pressure: 6.14E-09mmHg at 25°C
• Boiling Point: 468.1°Cat760mmHg
• Flash Point: 174°C
• PSA: 34.14000
• Density: 0.938g/cm³
• LogP: 7.30980
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 358.287180451
• Heavy Atom Count: 26
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

Technology Process of 1-Phenyl-1,3-octadecanedione

There total 8 articles about 1-Phenyl-1,3-octadecanedione 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%

hexadecanoic acid methyl ester (112-39-0) + acetophenone (98-86-2) → 1-phenyl-1,3-octadecanedione (17281-74-2)

Guidance literature:

With sodium methylate; In 5,5-dimethyl-1,3-cyclohexadiene; for 1.25h; Inert atmosphere; Reflux; Microwave irradiation;

Reference yield:

hexadecanoic acid methyl ester (112-39-0) + acetophenone (98-86-2) + sodium t-butanolate (865-48-5) → 1-phenyl-1,3-octadecanedione (17281-74-2)

Guidance literature:

In tetrahydrofuran; water; dimethyl sulfoxide;

Reference yield:

2-benzoyl-3-oxo-octadecanoic acid ethyl ester → 1-phenyl-1,3-octadecanedione (17281-74-2)

Guidance literature:

With dimethyl sulfoxide; sodium chloride; In water; for 8h; Heating;

DOI:10.1016/S0031-9422(00)00089-3

upstream raw materials:

hexadecanoic acid ethyl ester

acetophenone

ethyl 3-oxo-3-phenylpropionate

n-hexadecanoyl chloride

Refernces

• 1、 Schulz, Stefan,Arsene, Cristian,Tauber, Marianne,McNeil, Jeremy N.. "Composition of lipids from sunflower pollen (Helianthus annuus)". . p. 325 - 336. Retrieved 2007/10/03.