Butyl undec-10-enoate

Base Information

• Chemical Name: Butyl undec-10-enoate
• CAS No.: 109-42-2
• Molecular Formula: C15H28O2
• Molecular Weight: 240.386
• Hs Code.: 2916190090
• European Community (EC) Number: 203-670-4
• NSC Number: 2395
• UNII: O3OKK2UWV6
• DSSTox Substance ID: DTXSID4047624
• Nikkaji Number: J61.753I
• Wikidata: Q27285286
• Metabolomics Workbench ID: 47345
• ChEMBL ID: CHEMBL3561787
• Mol file: 109-42-2.mol

Synonyms:Butyl undec-10-enoate;109-42-2;Butyl 10-undecenoate;Butyl undecylenate;10-UNDECENOIC ACID, BUTYL ESTER;Butyl 10-undecylenate;FEMA No. 2216;n-BUTYL UNDECYLENATE;n-Butyl 10-undecenoate;NSC 2395;EINECS 203-670-4;UNII-O3OKK2UWV6;O3OKK2UWV6;10-UNDECENOIC ACID BUTYL ESTER;BRN 1776569;AI3-05920;DTXSID4047624;NSC-2395;10-Undecenoic acid,butyl ester;butyl undec - 10 - enoate;SCHEMBL858498;CHEMBL3561787;DTXCID2027624;UNDEC-10-ENOATE, BUTYL;FEMA 2216;undec-10-enoic acid butyl ester;NSC2395;CHEBI:169713;Tox21_302561;BUTYL 10-UNDECENOATE [FHFI];LMFA07010797;Butyl 10-undecenoate, >=98%, FG;LS-2610;NCGC00256896-01;BS-49164;CAS-109-42-2;CS-0158003;FT-0761959;E78201;A895045;Q27285286

Chemical Property of Butyl undec-10-enoate

Chemical Property:

• Appearance/Colour: colourless to pale yellow liquid
• Vapor Pressure: 0.00104mmHg at 25°C
• Melting Point: 1.3°C (estimate)
• Refractive Index: n20/D 1.4413(lit.)
• Boiling Point: 301.7 ºC at 760 mmHg
• Flash Point: 128 ºC
• PSA: 26.30000
• Density: 0.875 g/cm³
• LogP: 4.63650
• Storage Temp.: 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Butyl 10-undecenoate ≥98%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC(=O)CCCCCCCCC=C

Technology Process of Butyl undec-10-enoate

There total 4 articles about Butyl undec-10-enoate 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: 95.0%

phenyl 10-undecenoate (18508-59-3) + butan-1-ol (71-36-3) → butyl 10-undecenoate (109-42-2)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; In neat (no solvent); at 140 ℃; for 1h; Microwave irradiation; Green chemistry;

DOI:10.1039/c5ra10206e

Reference yield: 92.0%

Methyl 10-undecenoate (111-81-9) + butan-1-ol (71-36-3) → butyl 10-undecenoate (109-42-2)

Guidance literature:

iodine; for 20h; Heating;

DOI:10.1016/S0040-4039(01)02235-3

Reference yield:

10-undecenoic acid (112-38-9) + butan-1-ol (71-36-3) → butyl 10-undecenoate (109-42-2)

Guidance literature:

With sulfuric acid; benzene;

upstream raw materials:

10-undecenoic acid

butan-1-ol

Methyl 10-undecenoate

phenyl 10-undecenoate

Downstream raw materials:

10-Undecen-1-ol

Refernces

• 1、 Martínez, Javier,de la Cruz-Martínez, Felipe,Martínez de Sarasa Buchaca, Marc,Fernández-Baeza, Juan,Sánchez-Barba, Luis F.,North, Michael,Castro-Osma, José A.,Lara-Sánchez, Agustín. "Efficient Synthesis of Cyclic Carbonates from Unsaturated Acids and Carbon Dioxide and their Application in the Synthesis of Biobased Polyurethanes". . p. 460 - 468. Retrieved 2021/04/06.
• 2、 Kreye, Oliver,Meier, Michael A. R.. "Base catalyzed sustainable synthesis of phenyl esters from carboxylic acids using diphenyl carbonate". . p. 53155 - 53160. Retrieved 2015/06/25.