3-Undecanone

Base Information

• Chemical Name: 3-Undecanone
• CAS No.: 2216-87-7
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 218-700-1
• NSC Number: 158429
• DSSTox Substance ID: DTXSID20176695
• Nikkaji Number: J121.214A
• Wikidata: Q63396315
• Metabolomics Workbench ID: 5465
• Mol file: 2216-87-7.mol

Synonyms:3-Undecanone;Undecan-3-one;2216-87-7;Ethyl octyl ketone;ETHYL n-OCTYL KETONE;EINECS 218-700-1;undecan-9-one;SCHEMBL888107;SCHEMBL11024619;DTXSID20176695;CAA21687;LMFA12000060;MFCD00009572;NSC158429;AKOS009158546;NSC 158429;NSC-158429;CS-0449664;FT-0616425;U0029;D92753;5-INDOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID;Q63396315

Chemical Property of 3-Undecanone

Chemical Property:

• Vapor Pressure: 0.0797mmHg at 25°C
• Melting Point: 8-10°C
• Refractive Index: 1.4290
• Boiling Point: 225-229°C
• Flash Point: 73.2°C
• PSA: 17.07000
• Density: 0.821g/cm³
• LogP: 3.71610
• XLogP3: 4.2
• 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%,99%, ^*data from raw suppliers

3-Undecanone >85.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCCCC(=O)CC

Technology Process of 3-Undecanone

There total 46 articles about 3-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: 92.0%

3-undecanol (79090-61-2,79465-94-4,107494-37-1,6929-08-4) → undecan-3-one (2216-87-7)

Guidance literature:

With air; bis(salicylideniminato-3-propyl)methylamino-cobalt(III); 2,6-dimethoxy-p-quinone; [C₅Ph₄O(Ru(CO)2)]2H₂; In toluene; at 100 ℃; for 1h;

DOI:10.1021/jo0163750

Reference yield: 81.0%

undecan-3-one N,N-dimethylhydrazone → undecan-3-one (2216-87-7)

Guidance literature:

With sodium periodate; phosphate buffer; In methanol; at 25 ℃;

Reference yield: 79.0%

tert.-butylhydroperoxide (75-91-2) + 3-undecanol (79090-61-2,79465-94-4,107494-37-1,6929-08-4) → undecan-3-one (2216-87-7)

Guidance literature:

(NH₄)2Ce(NO₂)3 impregnated Nafion^R 511; In benzene; at 80 ℃; for 6h;

DOI:10.1016/S0040-4039(01)81373-3

upstream raw materials:

diethyl ether

N,N-diethyl nonanamide

ethylmagnesium bromide

3-methyleneundecane

Downstream raw materials:

3-undecanol

n-octylcyclopropane

Octanoic acid

(S)-undecan-3-ol

Refernces

• 1、 Rossi,Lauchenauer. "". . p. 1501,1504. Retrieved 1947.
• 2、 Kawamoto, Takuji,Uehara, Shohei,Hirao, Hidefumi,Fukuyama, Takahide,Matsubara, Hiroshi,Ryu, Ilhyong. "Borohydride-mediated radical addition reactions of organic iodides to electron-deficient alkenes". . p. 3999 - 4007. Retrieved 2014/05/20.
• 3、 Ryu, Ilhyong,Uehara, Shohei,Hirao, Hidefumi,Fukuyama, Takahide. "Tin-free giese reaction and the related radical carbonylation using Alkyl iodides and cyanoborohydrides". body text. p. 1005 - 1008. Retrieved 2009/04/07.