2-Butoxyethanol

Base Information

• Chemical Name: 2-Butoxyethanol
• CAS No.: 111-76-2
• 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: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 2909.43
• 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: 111-76-2.mol

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

Chemical Property of 2-Butoxyethanol

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: -70 °C
• Refractive Index: 1.4190
• Boiling Point: 167.7 °C at 760 mmHg
• PKA: 14.42±0.10(Predicted)
• Flash Point: 60 °C
• PSA: 29.46000
• Density: 0.901 g/cm³
• LogP: 0.79540
• Storage Temp.: Store at room temperature.
• Solubility.: 900g/l completely miscible
• Water Solubility.: miscible
• 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:

99.0% ^*data from raw suppliers

2-Butoxyethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/38
• Safety Statements: 36/37-46

MSDS Files:

SDS file from LookChem

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.
• Description: 2-Butoxyethanol is a clear, colourless liquid with ether-like smell.2-Butoxyethanol is usually produced by a reaction of ethylene oxide with butyl alcohol, but it may also be made by the reaction of ethylene glycol with dibutyl sulphate. 2-Butoxyethanol is widely used as a solvent in protective surface coatings such as spray lacquers, quick-dry lacquers, enamels, varnishes, and latex paints. It is also used as an ingredient in paint thinners and strippers, varnish removers, agricultural chemicals, herbicides, silicon caulks, cutting oils, and hydraulic fluids and as metal cleaners, fabric dyes and inks, industrial and household cleaners (as a degreaser), and dry-cleaning compounds. It is also used in liquid soaps and in cosmetics. 2-Butoxyethanol acetate has been reported to be present in air, water, and soil as a contaminant and exposure to it occurs during its manufacture and use as an intermediate in the chemical industry, and during the formulation and use of its products in multiple industrial activities. The acetate form of 2-butoxyethanol is 2-butoxyethanol acetate and also known as ethylene glycol monobutyl ether acetate.
• Physical properties: Clear, colorless, oily liquid with a mild, ether-like odor. Experimentally determined detection and recognition odor threshold concentrations were 500 μg/m3 (100 ppbv) and 1.7 mg/m3 (350 ppbv), respectively (Hellman and Small, 1974). An odor threshold concentration of 580 ppbv was reported by Nagata and Takeuchi (1990).
• Uses: 2-Butoxyethanol is a reagent in the synthesis of 4-butoxyethoxy-N-octadecyl-1,8-naphthalimide as a new fluorescent probe for the determination of proteins. Also used as a reagent in the synthesis of 4-hydroxybenzaldehyde derivatives as tyrosinase inhibitors. Ethylene glycol n-butyl ether (EB) is used widely as a coupling solvent because of its superior coupling efficiency and excellent solvency for resins. Ethylene glycol monobutyl ether (EGBE) is used as a solvent for nitrocellulose, resins, oil, and grease, and in dry cleaning. Solvent for nitrocellulose, resins, grease, oil, albumin; dry cleaning.

Technology Process of 2-Butoxyethanol

There total 36 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: 98.5%

ethene (74-85-1) + butan-1-ol (71-36-3) → 2-Butoxyethanol (111-76-2,9004-77-7)

Guidance literature:

With dihydrogen peroxide; Green chemistry;

Reference yield: 97.75%

oxirane (75-21-8,99932-75-9) + butan-1-ol (71-36-3) → 2-Butoxyethanol (111-76-2,9004-77-7)

Guidance literature:

With aluminum tri-n-butoxide; acetic acid; at 170 ℃; for 24h; Reagent/catalyst; Autoclave;

Reference yield: 93.1%

oxirane (75-21-8,99932-75-9) + butan-1-ol (71-36-3) → 2-Butoxyethanol (111-76-2,9004-77-7) + Diethylene glycol monobutyl ether (112-34-5,9004-77-7)

Guidance literature:

With potassium aluminum sulfate; at 170 ℃; for 24h; Reagent/catalyst; Autoclave;

upstream raw materials:

oxirane

butan-1-ol

[1,3]-dioxolan-2-one

sodium butanolate

Downstream raw materials:

Butoxyethyl nicotinate

butyric acid-(2-butoxy-ethyl ester)

Aqua-Kleen

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

Refernces

• 1、 -. "Preparation method of alkyl diglycol (by machine translation)". Paragraph 0031; 0032; 0040-0049. . Retrieved 2020/06/09.
• 2、 -. "Preparation method of ethylene glycol monobutyl ether". Paragraph 0019; 0021. . Retrieved 2017/07/18.