Methyl undecanoate

Base Information

• Chemical Name: Methyl undecanoate
• CAS No.: 1731-86-8
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 29159000
• European Community (EC) Number: 217-053-2
• UNII: K67YZ97W6C
• DSSTox Substance ID: DTXSID3061922
• Nikkaji Number: J99.610F
• Wikidata: Q27159700
• Mol file: 1731-86-8.mol

Synonyms:METHYL UNDECANOATE;1731-86-8;Undecanoic acid methyl ester;Undecanoic acid, methyl ester;Methyl n-undecanoate;undecanoic acid methylester;EINECS 217-053-2;MFCD00008957;undecanoic acid-methyl ester;BRN 1762129;UNII-K67YZ97W6C;n-Undecanoic acid methyl ester;K67YZ97W6C;3-02-00-00858 (Beilstein Handbook Reference);Undecanoic acid, methylester;Methyl undecanoate, 99%;SCHEMBL124223;Methyl ester of undecanoic acid;DTXSID3061922;CHEBI:87527;Methyl undecanoate, ~99% (GC);AKOS015903906;AM85326;CS-W004285;HY-W004285;Methyl undecanoate, analytical standard;AS-59703;SY049769;LS-158431;FT-0628820;U0050;A881802;J-010885;Q27159700;2C014F7C-5D43-493E-94C4-C306D0A5B10B;Methyl undecanoate, certified reference material, TraceCERT(R)

Chemical Property of Methyl undecanoate

Chemical Property:

• Vapor Pressure: 0.0275mmHg at 25°C
• Melting Point: -10 °C
• Refractive Index: n20/D 1.429(lit.)
• Boiling Point: 246.228 °C at 760 mmHg
• Flash Point: 109.444 °C
• PSA: 26.30000
• Density: 0.871 g/cm³
• LogP: 3.69020
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in ethanol, and ether. Insoluble in water.
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 132

Purity/Quality:

98%, ^*data from raw suppliers

Methyl Undecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 23-24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)OC
• Uses: Methyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.

Technology Process of Methyl undecanoate

There total 54 articles about Methyl 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%

Methyl 10-undecenoate (111-81-9) → methyl undecanoate (1731-86-8)

Guidance literature:

With C₄₀H₅₆N₂RuSi₄; hydrogen; In toluene; at 25 ℃; for 1.5h; under 760.051 Torr; Schlenk technique;

Reference yield: 99.0%

undecylenic acid (112-37-8) + carbonic acid dimethyl ester (616-38-6) → methyl undecanoate (1731-86-8)

Guidance literature:

With triethylamine; at 160 ℃; for 5h; Autoclave; Green chemistry;

DOI:10.1134/S107042801702004X

Reference yield: 92.0%

methanol (67-56-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → methyl undecanoate (1731-86-8) + 2-methyldecanoic acid methyl ester (29619-64-5)

Guidance literature:

With 5-chloro-2-hydroxybenzoic acid; boric acid; Tri(p-tolyl)phosphine; palladium diacetate; for 18h; under 20685.9 Torr; Heating;

DOI:10.1021/ol062646n

upstream raw materials:

diazomethane

undecylenic acid

methyl 8-hydroxyoctadecanoate

(8Z,11Z)-2-[2-Oxo-prop-(Z)-ylidene]-docosa-8,11-dienoic acid methyl ester

Downstream raw materials:

1,1,1-Trifluorododecan-2-one

undecyl alcohol

Decan-2-one

2-methoxy-1-decene

Refernces

• 1、 Akiri, Saphan O.,Ojwach, Stephen O.. "Sterically hindered (pyridyl)benzamidine palladium(II) complexes: Syntheses, structural studies, and applications as catalysts in the methoxycarbonylation of olefins". . . Retrieved 2021/09/09.
• 2、 Zulu, Zethu,Nyamato, George S.,Tshabalala, Thandeka A.,Ojwach, Stephen O.. "Palladium(II) complexes of (pyridyl)imine ligands as catalysts for the methoxycarbonylation of olefins". . . Retrieved 2019/12/11.