1,2-Epoxyoctadecane

Base Information

• Chemical Name: 1,2-Epoxyoctadecane
• CAS No.: 7390-81-0
• Deprecated CAS: 165323-66-0
• Molecular Formula: C18H36O
• Molecular Weight: 268.483
• Hs Code.: 2910900090
• European Community (EC) Number: 230-977-0
• UNII: O8GK4E0CVL
• DSSTox Substance ID: DTXSID4025246
• Nikkaji Number: J91.342A
• Wikidata: Q27285481
• Mol file: 7390-81-0.mol

Synonyms:1,2-epoxyoctadecane

Chemical Property of 1,2-Epoxyoctadecane

Chemical Property:

• Appearance/Colour: White waxy or chunky solid.
• Vapor Pressure: 5.45E-05mmHg at 25°C
• Melting Point: 33-35 °C
• Refractive Index: 1.455
• Boiling Point: 357.9 °C at 760 mmHg
• Flash Point: 127.2 °C
• PSA: 12.53000
• Density: 0.857 g/cm³
• LogP: 6.25660
• Water Solubility.: Insoluble in water.
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 268.276615768
• Heavy Atom Count: 19
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Epoxyoctadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Epoxides
• Canonical SMILES: CCCCCCCCCCCCCCCCC1CO1
• Uses: 1,2-Epoxyoctadecane can be used to produce octadecane-1,2-diol at heating. It is used in agrochemical, pharmaceutical and dyestuff field .

Technology Process of 1,2-Epoxyoctadecane

There total 4 articles about 1,2-Epoxyoctadecane 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: 75.9%

octadec-1-ene (112-88-9) → 2-hexadecyloxirane (7390-81-0)

Guidance literature:

With Ni(N-(2-pyridylmethyl)-N’-(2-hydroxyethyl)ethylenediamine)(N₃)₂; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1002/chem.201604498

Reference yield: 57.0%

→ 2-hexadecyloxirane (7390-81-0)

Guidance literature:

Reference yield:

peracetic acid (79-21-0) + octadec-1-ene (112-88-9) → 2-hexadecyloxirane (7390-81-0)

Guidance literature:

With acetic acid;

upstream raw materials:

peracetic acid

octadec-1-ene

acetic acid

Downstream raw materials:

n-Octadecanal

octadecan-2-one

trans-octadec-2-en-1-ol

1-n-Hexadecyl-3,6-dioxa-1,8-octanediol

Refernces

• 1、 Kim, Soohyung,Jeong, Ha Young,Kim, Seonghan,Kim, Hongsik,Lee, Sojeong,Cho, Jaeheung,Kim, Cheal,Lee, Dongwhan. "Proton Switch in the Secondary Coordination Sphere to Control Catalytic Events at the Metal Center: Biomimetic Oxo Transfer Chemistry of Nickel Amidate Complex". supporting information. p. 4700 - 4708. Retrieved 2021/02/12.
• 2、 Shin, Jong Won,Jeong, Ah Rim,Lee, Sun Young,Kim, Cheal,Hayami, Shinya,Min, Kil Sik. "Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: Syntheses, structural, magnetic, and catalytic properties". . p. 14089 - 14100. Retrieved 2016/11/06.