2-Butoxyethanol

Base Information

• Chemical Name: 2-Butoxyethanol
• CAS No.: 9004-77-7
• Deprecated CAS: 107461-82-5,161279-90-9,125148-46-1,203801-18-7,50820-10-5,50985-12-1,57244-91-4,90736-95-1,32241-62-6,548466-88-2,2239303-52-5,161279-90-9
• Molecular Formula: C₁₄H₃₀O₆
• Molecular Weight: 294.389
• European Community (EC) Number: 203-905-0,500-012-0,686-062-5
• ICSC Number: 0059
• NSC Number: 60759
• UN Number: 1993,2810,2369
• UNII: I0P9XEZ9WV
• DSSTox Substance ID: DTXSID1024097
• Nikkaji Number: J2.458I
• Wikipedia: 2-Butoxyethanol
• Wikidata: Q421557
• Metabolomics Workbench ID: 44823
• ChEMBL ID: CHEMBL284588
• Mol file: 9004-77-7.mol

Synonyms:2-butoxyethanol;butylcellosolve;ethyleneglycol monobutyl ether;n-butoxyethanol;n-butoxyethanol sodium salt

Chemical Property of 2-Butoxyethanol

Chemical Property:

• Vapor Pressure: 0.33Pa at 24.85℃
• Melting Point: 60-61℃
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 167.7°Cat760mmHg
• PKA: 14.9[at 20 ℃]
• Flash Point: 60°C
• PSA: 29.46000
• Density: 0.899g/cm³
• LogP: 0.79540
• Storage Temp.: -70°C
• Water Solubility.: 989g/L at 20℃
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 37.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (E Series)
• Canonical SMILES: CCCCOCCO
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system, blood, kidneys and liver.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 2-Butoxyethanol

There total 70 articles about 2-Butoxyethanol 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: 64.0%

Tetraethylene glycol (112-60-7) + n-Butyl chloride (109-69-3) → tetraethylene glycol dibutyl ether (112-98-1,31885-97-9) + tetraethylene glycol monobutyl ether (1559-34-8,9004-77-7)

Guidance literature:

With sodium hydroxide; water; at 100 ℃; for 24h;

DOI:10.1021/jo01294a034

Reference yield:

1,1-bis-(2-methoxy-ethoxy)-butane (71808-63-4) → 2-Butoxyethanol (111-76-2,9004-77-7) + 1-(2-methoxy-ethoxy)-butane (13343-98-1)

Guidance literature:

With nickel; at 200 - 240 ℃; under 51485.6 - 77228.3 Torr; Hydrogenation;

Reference yield:

→ 2-Butoxyethanol (111-76-2,9004-77-7) + 1-(2-methoxy-ethoxy)-butane (13343-98-1)

Guidance literature:

With nickel; at 200 - 240 ℃; under 51485.6 - 77228.3 Torr; Hydrogenation;

upstream raw materials:

oxirane

butan-1-ol

[1,3]-dioxolan-2-one

sodium butanolate

Downstream raw materials:

3-butoxy-propionic acid-(2-butoxy-ethyl ester)

4,4'-sulfonyl-di-benzoic acid bis-(2-butoxy-ethyl ester)

phosphoric acid-(2-butoxy-ethyl ester)-bis-(2-chloro-phenyl ester)

(4-Vinyl-benzyl)-(2-butoxy-ethyl)-ether

Refernces

• 1、 Groendyke, Brian J.,Modak, Atanu,Cook, Silas P.. "Fenton-Inspired C-H Functionalization: Peroxide-Directed C-H Thioetherification". . p. 13073 - 13091. Retrieved 2019/10/10.
• 2、 -. "Preparation method of ethylene glycol monobutyl ether". Paragraph 0019; 0021. . Retrieved 2017/07/18.