7-Heptadecanone

Base Information

• Chemical Name: 7-Heptadecanone
• CAS No.: 6064-42-2
• Molecular Formula: C17H34O
• Molecular Weight: 254.4513
• NSC Number: 158528
• DSSTox Substance ID: DTXSID80303480
• Nikkaji Number: J1.526.327J
• Wikidata: Q82048804
• Mol file: 6064-42-2.mol

Synonyms:7-Heptadecanone;heptadecan-7-one;6064-42-2;Heptadecanone;NSC158528;SCHEMBL3414726;DTXSID80303480;NFRKSAMCQGIGRC-UHFFFAOYSA-N;AKOS024333811;NSC-158528;AS-56601;D93031

Chemical Property of 7-Heptadecanone

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 46.67°C (estimate)
• Refractive Index: 1.4465 (estimate)
• Boiling Point: 322.7°C at 760 mmHg
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 6.05670
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.260965704
• Heavy Atom Count: 18
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)CCCCCC

Technology Process of 7-Heptadecanone

There total 12 articles about 7-Heptadecanone 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: 77.0%

heptanal (111-71-7) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → heptadecan-7-one (6064-42-2)

Guidance literature:

With benzophenone; N-hydroxyphthalimide; at 25 ℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.202004946

Reference yield: 61.0%

heptanal (111-71-7) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → heptadecan-7-one (6064-42-2) + 8-hydroxy-tetradecanal

Guidance literature:

With 3-methylpyridin-2-ylamine; benzoic acid; Wilkinson's catalyst; at 140 ℃; for 0.166667h; Irradiation;

DOI:10.1016/S0040-4039(01)00853-X

Reference yield:

octadec-9-ene-1,12-diol (1577-55-5) → heptadecan-7-one (6064-42-2)

Guidance literature:

With palladium on activated charcoal; at 185 - 270 ℃; unter Wasserstoffdruck;

upstream raw materials:

octadec-9-ene-1,12-diol

Iododecane

1,12-octadecanediol

heptanal