2-Isobutoxyethanol

Base Information

• Chemical Name: 2-Isobutoxyethanol
• CAS No.: 4439-24-1
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 2909499000
• European Community (EC) Number: 224-658-5
• DSSTox Substance ID: DTXSID3063469
• Nikkaji Number: J21.590B
• Wikidata: Q63408654
• Mol file: 4439-24-1.mol

Synonyms:2-Isobutoxyethanol;Ethylene glycol monoisobutyl ether;4439-24-1;2-(2-Methylpropoxy)ethanol;Isobutyl cellosolve;Ektasolve EIB;Ethanol, 2-(2-methylpropoxy)-;Ethanol, 2-isobutoxy-;2-(2-Methylpropoxy)Ethan-1-Ol;ETHYLENEGLYCOLMONOISOBUTYLETHER;2-isobutoxy-ethanol;BRN 1732707;EINECS 224-658-5;SCHEMBL262494;DTXSID3063469;HHAPGMVKBLELOE-UHFFFAOYSA-;MFCD00059601;AKOS009157820;LS-66830;E0301;FT-0626296;EN300-140171;Q63408654;50674-23-2

Chemical Property of 2-Isobutoxyethanol

Chemical Property:

• Vapor Pressure: 0.914mmHg at 25°C
• Melting Point: -69.47°C (estimate)
• Refractive Index: 1.4140 to 1.4180
• Boiling Point: 158.8°Cat760mmHg
• PKA: 14.39±0.10(Predicted)
• Flash Point: 50.4°C
• PSA: 29.46000
• Density: 0.896g/cm³
• LogP: 0.65130
• Water Solubility.: 75.46g/L at 25℃
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 43.8

Purity/Quality:

99.9% ^*data from raw suppliers

Ethylene Glycol Monoisobutyl Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COCCO

Technology Process of 2-Isobutoxyethanol

There total 9 articles about 2-Isobutoxyethanol 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: 98.0%

2-isopropyl-1,3-dioxolane (822-83-3) → 2-isobutoxyethanol (4439-24-1)

Guidance literature:

With zirconium(IV) chloride; diisobutylaluminium hydride; In hexane; at 20 ℃; for 0.5h;

DOI:10.1007/BF02496406

Reference yield:

2-ethoxy-ethanol (110-80-5) + N-Isobutyl-N-nitrosoharnstoff (760-60-1) → 2-isobutoxyethanol (4439-24-1) + ethoxy ethyl tert-butyl ether (51422-54-9) + ethylene glycol sec-butyl ethyl ether (77078-19-4) + 1-(2-Ethoxyethoxy)-2-methylpropan (18854-33-6)

Guidance literature:

With sodium hydrogencarbonate; for 24h; Further byproducts given; Ambient temperature;

Reference yield:

4-methyl-valeric acid isobutyl ester (25415-70-7) → 2-isobutoxyethanol (4439-24-1)

Guidance literature:

With copper chromite; 2-methyl-propan-1-ol; at 200 - 225 ℃; under 441305 Torr; Hydrogenation;

upstream raw materials:

4-methyl-valeric acid isobutyl ester

Isobutyl bromide

ethylene glycol

2-ethoxy-ethanol

Downstream raw materials:

1-isobutoxy-2-nonyloxy-ethane

Refernces

• 1、 Vostrikova,Gafarova,Dokichev,Zlotskii. "ZrCl4-catalyzed scission of ethylene acetals with organoaluminum compounds". . p. 1530 - 1532. Retrieved 2007/10/03.
• 2、 Lee, Hyung Soo,Isagawa, Kakuzo,Toyoda, Hiromu,Otsuji, Yoshio. "REGIO- AND STEREO-SELECTIVITIES IN THE TITANIUM COMPLEX CATALYZED HYDROBORATION OF CARBON-CARBON DOUBLE BONDS IN VARIOUS UNSATURATED COMPOUNDS". . p. 673 - 676. Retrieved 2007/10/02.