1,2-Epoxyhexadecane

Base Information

• Chemical Name: 1,2-Epoxyhexadecane
• CAS No.: 7320-37-8
• Deprecated CAS: 151284-10-5
• Molecular Formula: C16H32 O
• Molecular Weight: 240.429
• European Community (EC) Number: 230-786-2
• UNII: B11674G91K
• DSSTox Substance ID: DTXSID9025245
• Nikkaji Number: J36.959D
• Wikidata: Q26840887
• Metabolomics Workbench ID: 123704
• ChEMBL ID: CHEMBL1606644
• Mol file: 7320-37-8.mol

Synonyms:1,2-epoxyhexadecane

Chemical Property of 1,2-Epoxyhexadecane

Chemical Property:

• Vapor Pressure: 0.000494mmHg at 25°C
• Melting Point: 21-22 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 323.5 °C at 760 mmHg
• Flash Point: 93 ºC
• PSA: 12.53000
• Density: 0.846
• LogP: 5.47640
• Storage Temp.: 2-8°C
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 240.245315640
• Heavy Atom Count: 17
• Complexity: 156

Purity/Quality:

99.9% ^*data from raw suppliers

1,2-Epoxyhexadecane >80.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Epoxides
• Canonical SMILES: CCCCCCCCCCCCCCC1CO1

Technology Process of 1,2-Epoxyhexadecane

There total 6 articles about 1,2-Epoxyhexadecane 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%

1-Hexadecene (629-73-2) → 1,2-epoxyhexadecane (7320-37-8,68110-12-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1016/j.tetlet.2008.05.070

Reference yield: 81.0%

n-hexadecylaldehyde (629-80-1) → 1,2-epoxyhexadecane (7320-37-8,68110-12-3)

Guidance literature:

n-hexadecylaldehyde; With N-chloro-succinimide; rac-Pro-OH; In dichloromethane; at 20 ℃;

With sodium tetrahydroborate; In ethanol; dichloromethane; at 0 ℃;

With potassium hydroxide; In ethanol; dichloromethane; water; at 20 ℃; for 0.5h;

DOI:10.3390/molecules24112081

Reference yield:

peracetic acid (79-21-0) + 1-Hexadecene (629-73-2) → 1,2-epoxyhexadecane (7320-37-8,68110-12-3)

Guidance literature:

With acetic acid;

upstream raw materials:

peracetic acid

1-Hexadecene

acetic acid

n-hexadecylaldehyde

Downstream raw materials:

hexadecan-2-one

n-hexadecylaldehyde

N-(2-hydroxy-hexadecyl-1-yl)-N,N-dimethyl-N-2-hydroxyethylammonium chloride

C₄₄H₆₄O₇

Refernces

• 1、 Liang, Xiaohang,Liu, Dan,Luo, Yibin,Peng, Xinxin,Shu, Xingtian,Xia, Changjiu. "Understanding the mechanism of N coordination on framework Ti of Ti-BEA zeolite and its promoting effect on alkene epoxidation reaction". . . Retrieved 2021/07/31.
• 2、 Bourboula, Asimina,Limnios, Dimitris,Kokotou, Maroula G.,Mountanea, Olga G.,Kokotos, George. "Enantioselective organocatalysis-based synthesis of 3-hydroxy fatty acids and fatty γ-lactones". . . Retrieved 2019/06/10.