2-Butanol

Base Information

• Chemical Name: 2-Butanol
• CAS No.: 78-92-2
• Deprecated CAS: 15892-23-6
• Molecular Formula: C₄H₁₀O
• Molecular Weight: 74.1228
• Hs Code.: 29051490
• European Community (EC) Number: 201-158-5
• ICSC Number: 0112
• NSC Number: 25499
• UN Number: 1120
• UNII: 0TUL3ENK62
• DSSTox Substance ID: DTXSID9021762
• Nikkaji Number: J2.832K
• Wikipedia: 2-Butanol
• Wikidata: Q209332
• Metabolomics Workbench ID: 135345
• ChEMBL ID: CHEMBL45462
• Mol file: 78-92-2.mol

Synonyms:2-butanol;2-butanol, (+)-isomer;2-butanol, (+-)-isomer;2-butanol, (-)-isomer;2-butanol, aluminum salt;2-butanol, lithium salt, (+-)-isomer;2-butanol, lithium salt, (R)-isomer;2-butanol, lithium salt, (S)-isomer;sec-butyl alcohol

Chemical Property of 2-Butanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 12.5 mm Hg ( 20 °C)
• Melting Point: -115 °C(lit.)
• Refractive Index: n20/D 1.397(lit.)
• Boiling Point: 96.6 °C at 760 mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: 26.7 °C
• PSA: 20.23000
• Density: 0.8 g/cm³
• LogP: 0.77720
• Storage Temp.: Flammables area
• Sensitive.: Hygroscopic
• Solubility.: 125g/l
• Water Solubility.: 12.5 g/100 mL (20 ºc)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.073164938
• Heavy Atom Count: 5
• Complexity: 19.6
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37-67
• Safety Statements: 13-24/25-26-46-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)O
• Inhalation Risk: A harmful contamination of the air will be reached slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and upper respiratory tract. Exposure far above the OEL could cause lowering of consciousness. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Uses: 1. Used as extraction solvent, spices. 2. 2-butanol is Used as a solvent, and chromatography reagents 3. 2-butanol is Used for the production of intermediates of methyl ethyl ketone, for the preparation of butyl acetate, sec-butyl, used as plasticizers, processing agents, herbicides, solvents and so on. 4. Used for the production of intermediates of methyl ethyl ketone, for the preparation of butyl acetate, sec-butyl. 2-Butanol is used in the production of methylethyl ketone and sec-butyl acetate, as asolvent in lacquers and alkyd enamels, inhydraulic brake fluids, in cleaning compounds,and its xanthate derivatives in oreflotation. Preparation of methyl ethyl ketone, sol- vent, organic synthesis, paint removers, industrial cleaners. Polishes, cleaning materials, paint removers, fruit essences, perfumes, and dyestuffs; synthesis of methyl ethyl ketone; lacquer solvent
• Production method: After adsorption by butane of the cracking petroleum or natural gas in sulfuric acid, then hydrolyze with steam.
• Physical properties: Clear, colorless, flammable liquid with a pleasant odor. Experimentally determined detection and recognition odor threshold concentrations were 400 μg/m3 (120 ppbv) and 1.2 mg/m3 (410 ppbv), respectively (Hellman and Small, 1974).

Technology Process of 2-Butanol

There total 351 articles about 2-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: 81.0%

N-butyl-N-(hydroxymethyl)nitrosamine (76671-53-9) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + iso-butanol (78-92-2,15892-23-6) + butan-1-ol (71-36-3)

Guidance literature:

With water; for 1h; Product distribution; Ambient temperature; various solvents;

DOI:10.1016/S0040-4039(00)78747-8

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + methane (34557-54-5,27936-85-2) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + ethane (74-84-0) + propane (74-98-6) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Cu/Co/Al; at 260 - 320 ℃; under 45004.5 - 75007.5 Torr; Conversion of starting material;

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Zn/Cr/K; at 350 - 420 ℃; under 75007.5 - 135014 Torr; Conversion of starting material;

upstream raw materials:

diazomethane

isopropyl alcohol

propan-1-ol

tert-Amyl alcohol

Downstream raw materials:

2-(1-Methylpropoxy)ethanol

1-(β-hydroxy-phenethyl)-3-methyl-pyridinium; iodide

sec-butyl 3,5-dinitrobenzoate

sec-butyl acetoacetate

Refernces

• 1、 Morimoto, Mariko,Cao, Wendy,Bergman, Robert G.,Raymond, Kenneth N.,Toste, F. Dean. "Chemoselective and Site-Selective Reductions Catalyzed by a Supramolecular Host and a Pyridine-Borane Cofactor". supporting information. p. 2108 - 2114. Retrieved 2021/02/06.
• 2、 Biswas, Sujan,Das, Akash,Kumar Manna, Chandan,Kumar Mondal, Tapan,Naskar, Rahul. "Synthesis of new rhodium(III) complex by benzylic C[sbnd]S bond cleavage of thioether containing NNS donor Schiff base ligand: Investigation of catalytic activity towards transfer hydrogenation of ketones". . . Retrieved 2020/11/04.