Undecyl acetate

Base Information

• Chemical Name: Undecyl acetate
• CAS No.: 1731-81-3
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• Hs Code.: 2915390090
• European Community (EC) Number: 217-051-1
• NSC Number: 23056
• UNII: 70Z4PZ8M0S
• DSSTox Substance ID: DTXSID80169523
• Nikkaji Number: J118.402D
• Wikidata: Q27265902
• Metabolomics Workbench ID: 3865
• ChEMBL ID: CHEMBL2228459
• Mol file: 1731-81-3.mol

Synonyms:Undecyl acetate;1731-81-3;Undecanyl acetate;1-Undecanol, acetate;n-Undecyl acetate;1-Undecanol, 1-acetate;UNDECYLACETATE;Undecyl alcohol, acetate;Acetic acid undecyl ester;UNII-70Z4PZ8M0S;70Z4PZ8M0S;EINECS 217-051-1;NSC-23056;AI3-24138;1-UNDECYL ACETATE;1-UNDECANOL ACETATE;AMY037;SCHEMBL1300652;CHEMBL2228459;DTXSID80169523;CHEBI:180116;NSC23056;LMFA07010220;MFCD00056189;NSC 23056;AKOS024319538;s11867;FT-0633800;BIS(ETHYLENEDIAMINE)PLATINUM(II)CHLORIDE;Q27265902

Chemical Property of Undecyl acetate

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Melting Point: -6.8°C
• Refractive Index: 1.4222 (estimate)
• Boiling Point: 259.4°Cat760mmHg
• Flash Point: 110.5°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 4.08030
• Storage Temp.: 2-8°C
• XLogP3: 5
• 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:

99%, ^*data from raw suppliers

Undecylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCOC(=O)C

Technology Process of Undecyl acetate

There total 23 articles about Undecyl acetate 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%

undecyl alcohol (112-42-5) + acetic anhydride (108-24-7) → undecyl acetate (1731-81-3)

Guidance literature:

With Cp₂Ti(OSO₂C₈F₁₇)2; at 20 ℃; for 0.333333h; Neat (no solvent);

DOI:10.1016/j.jorganchem.2010.01.025

Reference yield: 98.0%

undecyl alcohol (112-42-5) + acetic acid (64-19-7,77671-22-8) → undecyl acetate (1731-81-3)

Guidance literature:

With β-cyclodextrin-SO3H; In neat (no solvent); at 70 ℃; for 3h;

DOI:10.1039/c4ra16699j

Reference yield: 97.0%

10-undecenyl acetate (112-19-6) → undecyl acetate (1731-81-3)

Guidance literature:

With ethanol; (^BQ?NC^OP)IrHCl; sodium t-butanolate; at 60 ℃; for 3h; chemoselective reaction; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.8b01038

upstream raw materials:

methanol

10-undecenyl acetate

acetyl dodecanoyl peroxide

1-acetoxy-10,11-epoxyundecane

Downstream raw materials:

1-undecene

1,2-epoxyundecane

Refernces

• 1、 Chen, Jyun-Siao,Huang, Po-Hsun,Hsieh, Ya-Chi,Liu, Jen-Wei,Hsu, Hsiao-Lin,Zhang, Kai-Min,Wu, Ren-Tsung,Chang, Ting-Shuo,Liu, Yu-Hao,Wu, Hsin-Ru,Luo, Shun-Yuan. "Trimethylsilyl Esters as Novel Dual-Purpose Protecting Reagents". supporting information. p. 754 - 762. Retrieved 2021/12/02.
• 2、 Thombal, Raju S.,Jadhav, Amol R.,Jadhav, Vrushali H.. "Biomass derived β-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols". . p. 12981 - 12986. Retrieved 2015/02/19.