4-Undecanone

Base Information

• Chemical Name: 4-Undecanone
• CAS No.: 14476-37-0
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 238-474-8
• NSC Number: 158509
• UNII: BPM2B95KTQ
• DSSTox Substance ID: DTXSID00162798
• Nikkaji Number: J126.516D
• Wikidata: Q63409840
• Metabolomics Workbench ID: 5466
• Mol file: 14476-37-0.mol

Synonyms:4-Undecanone;Undecan-4-one;14476-37-0;Heptyl propyl ketone;EINECS 238-474-8;NSC-158509;N-HEPTYL N-PROPYL KETONE;NSC158509;BPM2B95KTQ;4-Undecanone, AldrichCPR;SCHEMBL579987;DTXSID00162798;LMFA12000061;MFCD00048923;AKOS009159480;NSC 158509;AS-75891;CS-0362719;FT-0619547;U0041;D92758;Q63409840

Chemical Property of 4-Undecanone

Chemical Property:

• Vapor Pressure: 0.884mmHg at 25°C
• Melting Point: 2.3°C
• Refractive Index: 1.4280
• Boiling Point: 226.6°Cat760mmHg
• Flash Point: 72.8°C
• PSA: 17.07000
• Density: 0.821g/cm³
• LogP: 3.71610
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

4-Undecanone >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCCC(=O)CCC

Technology Process of 4-Undecanone

There total 24 articles about 4-Undecanone 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: 90.0%

(4-undecen-4-yl)pentamethyl phosphoric triamide → undecan-4-one (14476-37-0)

Guidance literature:

With sulfuric acid; In benzene; for 4h; Heating;

DOI:10.1016/S0040-4020(03)00188-1

Reference yield: 89.0%

(E)-undec-2-en-4-ol (66348-47-8) → undecan-4-one (14476-37-0) + (E)-undec-2-en-4-one (67233-97-0)

Guidance literature:

With acrylic acid methyl ester; chlorocarbonylbis(triphenylphosphine)rhodium(I); In water; N,N-dimethyl-formamide; for 0.25h; under 10343 Torr; Heating; microwave irradiation;

DOI:10.1016/j.tetlet.2003.10.032

Reference yield: 66.0%

Octanoic acid (124-07-2) + butyric acid (107-92-6) → undecan-4-one (14476-37-0)

Guidance literature:

manganese(IV) oxide; aluminum oxide; Heating;

upstream raw materials:

4-methyleneundecane

1-Heptene

butyraldehyde

1-Iodoheptane

Downstream raw materials:

undecan-4-ol

Refernces

• 1、 -. "Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.
• 2、 Grison, Claude,Thomas, Antoine,Coutrot, Frédéric,Coutrot, Philippe. "New ketone homoenolate anion equivalents derived from (alkenyl)pentamethyl phosphoric triamides". . p. 2101 - 2123. Retrieved 2007/10/03.