2-Methyldodecanal

Base Information

• Chemical Name: 2-Methyldodecanal
• CAS No.: 37596-36-4
• Molecular Formula: C13H26 O
• Molecular Weight: 198.349
• Hs Code.: 2912190090
• European Community (EC) Number: 253-562-6
• UNII: C17F5DL125
• DSSTox Substance ID: DTXSID20865875
• Nikkaji Number: J261.200C
• Wikidata: Q27275048
• Mol file: 37596-36-4.mol

Synonyms:2-Methyldodecanal;Dodecanal, 2-methyl-;37596-36-4;C17F5DL125;EINECS 253-562-6;methyldodecanal;2 - methyldodecanal;SCHEMBL229409;UNII-C17F5DL125;DTXSID20865875;MFCD00043839;2-METHYLDODECANAL, (+/-)-;AKOS006273496;EN300-345549;Q27275048

Chemical Property of 2-Methyldodecanal

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 15°C (estimate)
• Refractive Index: 1.4351 (estimate)
• Boiling Point: 258.2°Cat760mmHg
• Flash Point: 102.1°C
• PSA: 17.07000
• Density: 0.823g/cm³
• LogP: 4.35220
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 198.198365449
• Heavy Atom Count: 14
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2-Methyldodecanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)C=O

Technology Process of 2-Methyldodecanal

There total 21 articles about 2-Methyldodecanal 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: 75.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) + carbon monoxide (201230-82-2) → tridecanal (10486-19-8) + 2-methyldodecanal (37596-36-4)

Guidance literature:

With hydrogen; In water; at 125 ℃; for 3h; under 20252 - 24752.5 Torr;

Reference yield: 68.0%

methyl-2 dodecanol-1 (22663-61-2) → 2-methyldodecanal (37596-36-4)

Guidance literature:

With sodium hypochlorite; sodium hydrogencarbonate; potassium bromide; molecularly imprinted polymeric nitroxide catalyst; In dichloromethane; at 0 ℃; for 0.583333h;

DOI:10.1021/ol051749n

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + carbon monoxide (201230-82-2) → 2-methyl lauric acid (2874-74-0) + tridecanal (10486-19-8) + 2-methyldodecanal (37596-36-4) + tridecanoic acid (638-53-9)

Guidance literature:

With hydrogen; [RhH(CO)(P(OPh)3)3]; In water; tert-butyl alcohol; at 100 ℃; for 1.5h; under 37503 Torr; Product distribution; var. of temp., pressure, solvent, pH;

DOI:10.1002/prac.19963380125

upstream raw materials:

3-hydroxytetradecanoic acid

2-methyl-dodecanoyl chloride

2-methyl-dodecanenitrile

1-Decene

Refernces

• 1、 Liu, Yan-li,Zhao, Jian-gui,Zhao, Yuan-jiang,Liu, Hui-Min,Fu, Hai-yan,Zheng, Xue-li,Yuan, Mao-lin,Li, Rui-xiang,Chen, Hua. "Homogeneous hydroformylation of long chain alkenes catalyzed by water soluble phosphine rhodium complex in CH3OH and efficient catalyst cycling". . p. 7382 - 7387. Retrieved 2019/03/19.
• 2、 Tao, Lin,Zhong, Mingmei,Chen, Jian,Jayakumar, Sanjeevi,Liu, Lina,Li, He,Yang, Qihua. "Heterogeneous hydroformylation of long-chain alkenes in IL-in-oil Pickering emulsion". . p. 188 - 196. Retrieved 2018/01/12.