8-Pentadecanone

Base Information

• Chemical Name: 8-Pentadecanone
• CAS No.: 818-23-5
• Molecular Formula: C15H30 O
• Molecular Weight: 226.403
• Hs Code.: 29141990
• European Community (EC) Number: 212-450-7
• NSC Number: 595
• UNII: QO7H8D8OSB
• DSSTox Substance ID: DTXSID40231371
• Nikkaji Number: J49.926I
• Wikidata: Q83112290
• Mol file: 818-23-5.mol

Synonyms:8-PENTADECANONE;Pentadecan-8-one;818-23-5;Caprylone;Diheptyl ketone;Heptyl ketone;Di-n-heptyl ketone;8-Oxopentadecane;Pentadecane-8-one;NSC 595;EINECS 212-450-7;QO7H8D8OSB;BRN 1705335;AI3-11051;NSC-595;4-01-00-03392 (Beilstein Handbook Reference);UNII-QO7H8D8OSB;Caprylone_GurudeebanSatyavani;SCHEMBL240165;NSC595;DTXSID40231371;BBL002990;MFCD00009555;STK379264;AKOS005450458;AS-56779;LS-101403;CS-0182624;D1545;FT-0621572;EN300-19775;D89880;Z104475298

Chemical Property of 8-Pentadecanone

Chemical Property:

• Appearance/Colour: white to light yellow shiny crystals or flakes
• Vapor Pressure: 0.00182mmHg at 25°C
• Melting Point: 40-44oC
• Refractive Index: 1.4419 (estimate)
• Boiling Point: 292.6°Cat760mmHg
• Flash Point: 83.1°C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 5.27650
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Sparingly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 226.229665576
• Heavy Atom Count: 16
• Complexity: 136

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

Pentadecan-8-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC(=O)CCCCCCC

Technology Process of 8-Pentadecanone

There total 61 articles about 8-Pentadecanone 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: 65.0%

n-heptylmagnesium bromide (13125-66-1) + N-methoxy-N-methyloctanamide (200886-71-1) → 8-Pentadecanon (818-23-5)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 4h; Solvent; Inert atmosphere;

Reference yield: 23.0%

dibutyltindioctanoate (4731-77-5) → 8-Pentadecanon (818-23-5) + Tributyl(octanoyloxy)stannane (10603-63-1)

Guidance literature:

thermal decompn. between 250-280°C;

Reference yield: 4.0%

methyl octanate (111-11-5) → 8-Pentadecanon (818-23-5) + 2-hexyl-3-oxo-decanoic acid methyl ester (86089-22-7)

Guidance literature:

With lithium; 4,4'-di-tert-butylbiphenyl; In tetrahydrofuran; for 36h; Ambient temperature; Irradiation; ultrasonic irradiation;

DOI:10.1016/S0040-4039(01)80547-5

upstream raw materials:

octanol

ethanol

Octanoic acid

octanoic acid ethyl ester

Downstream raw materials:

8-methylenepentadecane

pentadecan-8-amine

1-hexene

2-Nonanone

Refernces

• 1、 -. "IONIZABLE CATIONIC LIPID FOR RNA DELIVERY". . . Retrieved 2018/07/04.
• 2、 -. "HYDROCARBON SYNTHESIS METHODS, APPARATUS, AND SYSTEMS". Page/Page column 32. . Retrieved 2014/01/18.