Ethyl undecanoate

Base Information

• Chemical Name: Ethyl undecanoate
• CAS No.: 627-90-7
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• Hs Code.: 2915900090
• European Community (EC) Number: 211-018-5
• NSC Number: 97265
• UNII: Q5223I1993
• DSSTox Substance ID: DTXSID6060846
• Nikkaji Number: J115.160F
• Wikidata: Q27287011
• Metabolomics Workbench ID: 43898
• Mol file: 627-90-7.mol

Synonyms:ETHYL UNDECANOATE;627-90-7;Undecanoic acid, ethyl ester;Ethyl undecylate;Undecanoic acid ethyl ester;Ethyl hendecanoate;Ethyl n-undecanoate;n-Undecanoic acid ethyl ester;FEMA No. 3492;Undecanoic acid-ethyl ester;UNII-Q5223I1993;EINECS 211-018-5;NSC-97265;AI3-04250;Q5223I1993;MFCD00008958;Ethyl undecanoate, 97%;SCHEMBL309440;DTXSID6060846;ETHYL UNDECANOATE [FHFI];FEMA 3492;CHEBI:180101;Ethyl undecanoate, >=97%, FG;NSC97265;HENDECANOIC ACID, ETHYL ESTER;LMFA07010886;AKOS015839824;AM85347;CS-W014923;DS-4070;HY-W014207;FT-0626251;U0049;A868359;Q27287011

Chemical Property of Ethyl undecanoate

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.0137mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 105 °C4 mm Hg(lit.)
• Flash Point: >230°F
• PSA: 26.30000
• Density: 0.859g/mLat 25°C(lit.)
• LogP: 4.08030
• Storage Temp.: 2-8°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

Ethyl undecanoate ^*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: CCCCCCCCCCC(=O)OCC
• Uses: Ethyl undecanoate was used to prepare the corresponding aldehyde in the presence of Lithium diisobutyl-t-butoxyaluminum hydride (LDBBA).

Technology Process of Ethyl undecanoate

There total 28 articles about Ethyl undecanoate 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: 99.0%

ethyl 10-undecenenoate (692-86-4) → ethyl undecanoate (627-90-7)

Guidance literature:

With ethanol; (^BQ?NC^OP)IrHCl; sodium t-butanolate; at 60 ℃; for 2h; chemoselective reaction; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.8b01038

Reference yield: 86.0%

1-Iodooctane (629-27-6) + ethyl acrylate (140-88-5,9003-32-1) → ethyl undecanoate (627-90-7)

Guidance literature:

With borohydride exchange resin; nickel diacetate; In methanol; at 20 ℃; for 3h;

DOI:10.1016/0040-4039(96)00510-2

Reference yield: 75.0%

1-Iodooctane (629-27-6) + ethyl acrylate (140-88-5,9003-32-1) → ethyl undecanoate (627-90-7) + diethyl 2-nonylpentanedioate (1012063-04-5)

Guidance literature:

With sodium cyanoborohydride; In methanol; for 3h; Inert atmosphere; Irradiation;

DOI:10.1021/ol7031043

upstream raw materials:

ethanol

undecylenic acid

ethyl ester of dodec-11-ynoic acid

ethyl 10-undecenenoate

Downstream raw materials:

heneicosane

undecyl alcohol

1-ethoxyundecane

pentadecan-5-one