Hexadecane, 1,1-dimethoxy-

Base Information

• Chemical Name: Hexadecane, 1,1-dimethoxy-
• CAS No.: 2791-29-9
• Molecular Formula: C18H38 O2
• Molecular Weight: 286.499
• Hs Code.: 2911000000
• UNII: MHW26B8K0A
• DSSTox Substance ID: DTXSID4062644
• Nikkaji Number: J110.776C
• Wikidata: Q81990166
• Mol file: 2791-29-9.mol

Synonyms:1,1-Dimethoxyhexadecane;Hexadecane, 1,1-dimethoxy-;2791-29-9;Hexadecanal dimethyl acetal;Hexadecane,1,1-dimethoxy-;1,1-dimethoxy-hexadecane;MHW26B8K0A;Palmitaldehyde, dimethyl acetal;UNII-MHW26B8K0A;1,1-Dimethoxyhexadecane #;SCHEMBL825730;DTXSID4062644;AKOS015843165;1,1-DIMETHOXYHEXADECANE/PALMITATE;FT-0717789;16:0 dimethylacetal, hexadecanal-dimethylacetal, chloroform

Chemical Property of Hexadecane, 1,1-dimethoxy-

Chemical Property:

• Vapor Pressure: 0.000574mmHg at 25°C
• Melting Point: 10°C
• Refractive Index: 1.4382 (estimate)
• Boiling Point: 321°Cat760mmHg
• Flash Point: 85.1°C
• PSA: 18.46000
• Density: 0.845g/cm³
• LogP: 6.08660
• Storage Temp.: −20°C
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 286.287180451
• Heavy Atom Count: 20
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

1,1-DIMETHOXYHEXADECANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(OC)OC

Technology Process of Hexadecane, 1,1-dimethoxy-

There total 4 articles about Hexadecane, 1,1-dimethoxy- 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: 84.0%

methanol (67-56-1) + n-hexadecylaldehyde (629-80-1) → cetyladehyde dimethyl acetal (2791-29-9)

Guidance literature:

With 5-sulfosalicylic Acid; Heating;

DOI:10.1021/jm00126a029

Reference yield: 80.0%

n-hexadecylaldehyde (629-80-1) + trimethyl orthoformate (149-73-5) → cetyladehyde dimethyl acetal (2791-29-9)

Guidance literature:

With Amberlite IR-120 (H+); In methanol; for 2h; Heating;

DOI:10.1016/0008-6215(93)80120-4

Reference yield:

methanol (67-56-1) + methanesulfonic acid hexadecyl ester (20779-14-0) → cetyladehyde dimethyl acetal (2791-29-9)

Guidance literature:

Multistep reaction; (i) NaHCO₃, DMSO, (ii) /BRN= 1098229/, TsOH;

DOI:10.1039/j39680000016

upstream raw materials:

methanol

n-hexadecylaldehyde

methanesulfonic acid hexadecyl ester

trimethyl orthoformate

Downstream raw materials:

O-(3,4-O-hexadecylidene-β-D-galactopyranosyl)-(1->1)-(2S,3R,4E)-2-amino-4-octadecene-1,3-diol

trans-(2S,4R)-[[(2-pentadecyl-1,3-dioxolan-4-yl)methyl]oxy]phosphocholine

cis-(2R,4R)-[[(2-pentadecyl-1,3-dioxolan-4-yl)methyl]oxy]phosphocholine

cis-(2S,4S)-[[(2-pentadecyl-1,3-dioxolan-4-yl)methyl]oxy]phosphocholine

Refernces

• 1、 Sadozai,Anand,Nudelman,Hakomori. "Synthesis of plasmalopsychosines A and B, two novel lysosphingolipids found in human brain". . p. 301 - 307. Retrieved 2007/10/02.