2-Ethylbutyl octanoate

Base Information

• Chemical Name: 2-Ethylbutyl octanoate
• CAS No.: 5457-77-2
• Molecular Formula: C₁₄H₂₈O₂
• Molecular Weight: 228.375
• NSC Number: 23959
• DSSTox Substance ID: DTXSID50282051
• Wikidata: Q82016222
• Mol file: 5457-77-2.mol

Synonyms:2-ethylbutyl octanoate;5457-77-2;NSC23959;2-Ethylbutyl Caprylate;SCHEMBL3744677;DTXSID50282051;FKCFSNLCWYKYCS-UHFFFAOYSA-N;NSC-23959

Chemical Property of 2-Ethylbutyl octanoate

Chemical Property:

• Vapor Pressure: 0.00918mmHg at 25°C
• Boiling Point: 265.4°Cat760mmHg
• Flash Point: 115°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.32630
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC(CC)CC

Technology Process of 2-Ethylbutyl octanoate

There total 1 articles about 2-Ethylbutyl octanoate 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:

2-ethyl-1-butanol (97-95-0) + Octanoic acid (124-07-2) + tin oxalate (814-94-8,7423-27-0,14536-20-0,17480-26-1) → 2-ethylbutyl n-octanoate (5457-77-2)

Guidance literature:

upstream raw materials:

2-ethyl-1-butanol

Octanoic acid

tin oxalate

Refernces