2-Ethylhexyl formate

Base Information

• Chemical Name: 2-Ethylhexyl formate
• CAS No.: 5460-45-7
• Molecular Formula: C9H18 O2
• Molecular Weight: 158.241
• Hs Code.: 2915120000
• European Community (EC) Number: 226-740-6
• NSC Number: 21825
• UNII: 0841NS0541
• DSSTox Substance ID: DTXSID201303992
• Nikkaji Number: J210.522E
• Wikidata: Q27893765
• Mol file: 5460-45-7.mol

Synonyms:2-Ethylhexyl formate;5460-45-7;Formic acid,2-ethylhexyl ester;Formic acid, 2-ethylhexyl ester;EINECS 226-740-6;NSC-21825;0841NS0541;2-ethylhexylformate;NSC21825;SCHEMBL96308;Formic acid 2-ethylhexyl ester;DTXSID201303992;UNII-0841NS0541;2-ETHYL-1-HEXANOL FORMATE;NSC 21825;AKOS037645310;AS-60052;E85053;Q27893765

Chemical Property of 2-Ethylhexyl formate

Chemical Property:

• Vapor Pressure: 0.409mmHg at 25°C
• Melting Point: -39.1°C (estimate)
• Refractive Index: 1.4040 (estimate)
• Boiling Point: 195.9°Cat760mmHg
• Flash Point: 71.8°C
• PSA: 26.30000
• Density: 0.873g/cm³
• LogP: 3.01170
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 91.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC=O

Technology Process of 2-Ethylhexyl formate

There total 9 articles about 2-Ethylhexyl formate 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%

2-Ethylhexyl alcohol (104-76-7) + formic acid ethyl ester (109-94-4) → (2-ethylhex-1-yl) formiate (5460-45-7)

Guidance literature:

With K5; for 0.5h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 90.0%

tri-2-ethylhexyl orthoformate (56136-01-7) + 2-decyltetradec-2-enal (25234-36-0) → (2-ethylhex-1-yl) formiate (5460-45-7) + E/Z-11-(bis((2-ethylhexyl)oxy)methyl)tricos-11-ene

Guidance literature:

With toluene-4-sulfonic acid; at 80 - 120 ℃; for 4h; Inert atmosphere;

Reference yield: 75.0%

formic acid (64-18-6) + 2-Ethylhexyl alcohol (104-76-7) → (2-ethylhex-1-yl) formiate (5460-45-7)

Guidance literature:

formic acid; With silica gel; at 20 ℃; for 0.0166667h;

2-Ethylhexyl alcohol; With silica gel; at 110 ℃; for 0.0833333h;

upstream raw materials:

formic acid

2-Ethylhexyl alcohol

d,l-2-ethylhexanal

N-((2-ethylhexyloxy)methylidene) dimethyliminium chloride

Refernces

• 1、 Huy, Peter H.,Motsch, Sebastian,Kappler, Sarah M.. "Formamides as Lewis Base Catalysts in SNReactions—Efficient Transformation of Alcohols into Chlorides, Amines, and Ethers". supporting information. p. 10145 - 10149. Retrieved 2016/08/16.
• 2、 Ghorbani-Vaghei, Ramin,Veisi, Hojat,Amiri, Mostafa,Chegini, Mohammad,Karimi, Mehdi,Dadamahaleh, Somayeh Akbari,Sedrpoushan, Alireza. "Highly efficient formylation of alcohols, thiols and aniline derivatives by a heterogeneous (HCOOH/SiO2) system under microwave irradiation and solvent-free conditions". experimental part. p. 39 - 43. Retrieved 2010/09/03.