2-Methyldecanal

Base Information

• Chemical Name: 2-Methyldecanal
• CAS No.: 19009-56-4
• Deprecated CAS: 120892-77-5
• Molecular Formula: C11H22O
• Molecular Weight: 170.295
• Hs Code.: 2912190090
• European Community (EC) Number: 242-745-6
• DSSTox Substance ID: DTXSID5021623
• Nikkaji Number: J34.879A
• Mol file: 19009-56-4.mol

Synonyms:(4) 2-methyldecanal;methyloctylacetaldehyde

Chemical Property of 2-Methyldecanal

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: -2°C (estimate)
• Refractive Index: 1.4280 (estimate)
• Boiling Point: 222.5°Cat760mmHg
• Flash Point: 81.8°C
• PSA: 17.07000
• Density: 0.819g/cm³
• LogP: 3.57200
• Water Solubility.: 16mg/L at 20℃
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 99.2

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyldecanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)C=O

Technology Process of 2-Methyldecanal

There total 48 articles about 2-Methyldecanal 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: 83.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → decane (124-18-5) + undecyl alcohol (112-42-5) + 2-methyldecan-1-ol (18675-24-6) + 2-methyldecanal (19009-56-4) + undecylaldehyde (112-44-7)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 20h; under 60 Torr; regioselective reaction; Autoclave;

DOI:10.1002/anie.201207133

Reference yield: 62.8%

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → 2-methyldecanal (19009-56-4) + undecylaldehyde (112-44-7)

Guidance literature:

With hydrogen; 1-octyl-3-methyl-imidazolium bromide; In water; at 100 ℃; for 3h; under 15001.5 Torr; Further Variations:; Reagents; Product distribution;

DOI:10.1039/b618785d

Reference yield: 30.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → decane (124-18-5) + 2-methyldecanal (19009-56-4) + undecylaldehyde (112-44-7)

Guidance literature:

With cobalt(II) bromide; zinc; In toluene; tert-butyl alcohol; at 25 - 110 ℃; for 16h; Title compound not separated from byproducts;

upstream raw materials:

lauric acid

3-hydroxydodecanoic acid

2-methyl-decanenitrile

oct-1-ene

Downstream raw materials:

1,10-decanedioic acid

rac-octan-2-ol

2-methyl decanoic acid

hexyl-methyl-ketone

Refernces

• 1、 Hua, Kaimin,Liu, Xiaofang,Wei, Baiyin,Shao, Zilong,Deng, Yuchao,Zhong, Liangshu,Wang, Hui,Sun, Yuhan. "Chemo- And regioselective hydroformylation of alkenes with CO2/H2over a bifunctional catalyst". supporting information. p. 8040 - 8046. Retrieved 2021/11/01.
• 2、 Dreimann, J. M.,Künnemann, K. U.,Lange, D.,Monflier, E.,Schurm, L.,Seidensticker, T.,Tilloy, S.,Vogt, D.. "Continuous hydroformylation of 1-decene in an aqueous biphasic system enabled by methylated cyclodextrins". supporting information. p. 3809 - 3819. Retrieved 2020/07/06.