Ethyl 3-methyl-3-nonyloxirane-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-methyl-3-nonyloxirane-2-carboxylate
• CAS No.: 83803-54-7
• Molecular Formula: C15H28 O3
• Molecular Weight: 256.386
• Hs Code.: 2918990090
• European Community (EC) Number: 280-872-9
• NSC Number: 26485
• DSSTox Substance ID: DTXSID70868755
• Nikkaji Number: J27.192F
• Mol file: 83803-54-7.mol

Synonyms:83803-54-7;Ethyl 3-methyl-3-nonyloxirane-2-carboxylate;EINECS 280-872-9;NSC 26485;Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester;2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester;NSC26485;DTXSID70868755;NSC-26485;2,3-Epoxy-3-methyldodecanoic acid ethyl ester

Chemical Property of Ethyl 3-methyl-3-nonyloxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000724mmHg at 25°C
• Boiling Point: 307.5°C at 760 mmHg
• Flash Point: 125.4°C
• PSA: 38.83000
• Density: 0.949g/cm³
• LogP: 3.84770
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 256.20384475
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1(C(O1)C(=O)OCC)C

Technology Process of Ethyl 3-methyl-3-nonyloxirane-2-carboxylate

There total 1 articles about Ethyl 3-methyl-3-nonyloxirane-2-carboxylate 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:

methyl nonyl ketone (112-12-9) + chloroacetic acid ethyl ester (105-39-5) → 2,3-epoxy-3-methyl-dodecanoic acid ethyl ester (83803-54-7)

Guidance literature:

With sodium ethanolate;

Reference yield:

2,3-epoxy-3-methyl-dodecanoic acid ethyl ester (83803-54-7) → 2-methylundecanal (110-41-8)

Guidance literature:

Verseifung und Erhitzen;

Reference yield:

2,3-epoxy-3-methyl-dodecanoic acid ethyl ester (83803-54-7) + ethanol (64-17-5) → 3-methyl-dodecane-1,3-diol (857786-65-3) + undecan-2-ol (1653-30-1,113666-64-1) + methyl nonyl ketone (112-12-9)

Guidance literature:

upstream raw materials:

methyl nonyl ketone

chloroacetic acid ethyl ester

Downstream raw materials:

2-methylundecanal

3-methyl-dodecane-1,3-diol

undecan-2-ol

methyl nonyl ketone