2-Ethyl-1-butanol

Base Information

• Chemical Name: 2-Ethyl-1-butanol
• CAS No.: 97-95-0
• Molecular Formula: C6H14O
• Molecular Weight: 102.177
• Hs Code.: 29051990
• European Community (EC) Number: 202-621-4
• NSC Number: 8858
• UN Number: 2275
• UNII: 28002VFS3H
• DSSTox Substance ID: DTXSID2041416
• Nikkaji Number: J55.485E
• Wikipedia: 2-Ethyl-1-butanol
• Wikidata: Q4596882
• ChEMBL ID: CHEMBL3181836
• Mol file: 97-95-0.mol

Synonyms:2-ethyl-1-butanol

Chemical Property of 2-Ethyl-1-butanol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellowish liquid
• Vapor Pressure: 1.81mmHg at 25°C
• Melting Point: -15 °C(lit.)
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 146.499 °C at 760 mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 58.333 °C
• PSA: 20.23000
• Density: 0.814 g/cm³
• LogP: 1.41490
• Storage Temp.: Store below +30°C.
• Solubility.: 4g/l
• Water Solubility.: Soluble in water (4 mg/ml at 25°C), alcohol, ether, and most organic solvents.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 31.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

2-Ethyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R21/22:Harmful in contact with skin and if swallowed.
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(CC)CO
• Uses: It is used as a perfuming agent in cosmetics industry. 2-Ethyl-1-butanol is used for the synthesis of various pharmaceutical compounds, such as novel branched Alkyl carbamates, acting as anticonvulsant agent. It is also a solvent used for various organic synthesis, separation processes and ionic liquids, and solvent mixtures for pharmaceutical applications . It is also used to make penetrating oils, corrosion inhibitors, plasticizers, and perfumes; as cleaning agent for printed circuits; and to improve flow of paints and varnishes. Solvent for oils, resins, waxes, dyes; diluent; synthesis of perfumes, drugs; flavoring.

Technology Process of 2-Ethyl-1-butanol

There total 63 articles about 2-Ethyl-1-butanol 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: 91.2%

ethyl 2-ethylbutanoate (2983-38-2) → 2-ethyl-1-butanol (97-95-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -5 - 5 ℃; for 3h; Inert atmosphere;

Reference yield: 33.0%

ethanol (64-17-5) + sodium ethanolate (141-52-6) → octanol (111-87-5) + 2-Ethylhexyl alcohol (104-76-7) + 2-ethyl-1-butanol (97-95-0) + butan-1-ol (71-36-3) + hexan-1-ol (111-27-3)

Guidance literature:

With [HN-(CH₂CH₂PⁱPr₂)₂]Mn(CO)₂Br; at 150 ℃; for 24h; Temperature; Reagent/catalyst; Schlenk technique;

DOI:10.1021/acscatal.7b03653

Reference yield:

ethanol (64-17-5) → diethyl ether (60-29-7,927820-24-4) + octanol (111-87-5) + 2-Ethylhexyl alcohol (104-76-7) + (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + ethene (74-85-1) + 2-ethyl-1-butanol (97-95-0) + 1-Decanol (112-30-1) + acetaldehyde (75-07-0,9002-91-9) + butanoic acid ethyl ester (105-54-4) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + butan-1-ol (71-36-3) + hexan-1-ol (111-27-3)

Guidance literature:

With deficient carbonate-containing hydroxyapatites (HapD); at 300 - 400 ℃; Reagent/catalyst; Temperature; Overall yield = 14 %; Catalytic behavior; Inert atmosphere;

DOI:10.1039/c5cy00327j

upstream raw materials:

2-Ethylbutanoic acid

2-Ethylbutyraldehyde

tert-butylmagnesium chloride

1,1-dimethylpropylmagnesium chloride

Downstream raw materials:

1,2-benzenedicarboxylic acid bis(2-ethylbutyl) ester

adipic acid bis-(2-ethyl-butyl ester)

decanedioic acid bis-(2-ethyl-butyl ester)

fluoro-acetic acid-(2-ethyl-butyl ester)

Refernces

• 1、 -. "PROCESSES FOR PRODUCING ALCOHOLS FROM BIOMASS AND FURTHER PRODUCTS DERIVED THEREFROM". Paragraph 0539-0540. . Retrieved 2021/11/26.
• 2、 Beller, Matthias,Huang, Weiheng,Jackstell, Ralf,Jiao, Haijun,Tian, Xinxin. "Iridium-Catalyzed Domino Hydroformylation/Hydrogenation of Olefins to Alcohols: Synergy of Two Ligands". supporting information. . Retrieved 2022/01/13.