6-Tridecanone

Base Information

• Chemical Name: 6-Tridecanone
• CAS No.: 22026-12-6
• Molecular Formula: C13H26O
• Molecular Weight: 198.349
• Hs Code.: 2914190090
• European Community (EC) Number: 244-728-9
• NSC Number: 158514
• UNII: BX4NSZ89QX
• DSSTox Substance ID: DTXSID60176492
• Nikkaji Number: J225.522G
• Wikidata: Q83046819
• Mol file: 22026-12-6.mol

Synonyms:6-Tridecanone;Tridecan-6-one;22026-12-6;n-Amyl n-heptyl ketone;NSC-158514;AI3-38184;8-Tridecanone;NSC158514;BX4NSZ89QX;6-TRIDECANONE 98%;SCHEMBL1360968;DTXSID60176492;EINECS 244-728-9;AKOS006228078;NSC 158514;FT-0621318

Chemical Property of 6-Tridecanone

Chemical Property:

• Vapor Pressure: 0.0121mmHg at 25°C
• Melting Point: 27.5°C (estimate)
• Refractive Index: 1.431
• Boiling Point: 260.7 °C at 760 mmHg
• Flash Point: 79.7 °C
• PSA: 17.07000
• Density: 0.825 g/cm³
• LogP: 4.49630
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 198.198365449
• Heavy Atom Count: 14
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCCC(=O)CCCCC

Technology Process of 6-Tridecanone

There total 17 articles about 6-Tridecanone 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: 89.0%

tridecan-6-ol (5770-03-6) → 6-tridecanone (22026-12-6)

Guidance literature:

With CuBr₂-LiOt-Bu; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1246/cl.1992.1185

Reference yield: 89.0%

heptylmanganese chloride (71478-45-0) + C9H16O4 (72531-43-2) → 6-tridecanone (22026-12-6)

Guidance literature:

In tetrahydrofuran; hexane; 1.) 15 min, -40 deg C, 2.) 20 deg C, 2h;

DOI:10.1016/S0040-4020(01)91097-X

Reference yield: 72.0%

Heptylmangan(II)iodid (62485-88-5) + C11H20O3 (91153-63-8) → 6-tridecanone (22026-12-6)

Guidance literature:

In diethyl ether; 1.) -10 deg C, 10 min, 2.) 20 deg C, 2h;

DOI:10.1016/S0040-4020(01)91097-X

upstream raw materials:

diethyl ether

n-hexylmagnesium bromide

1-Iodoheptane

amyl iodide

Downstream raw materials:

tridecan-6-ol