3-Methyl-2-butanol

Base Information

• Chemical Name: 3-Methyl-2-butanol
• CAS No.: 598-75-4
• Deprecated CAS: 70116-68-6
• Molecular Formula: C5H12O
• Molecular Weight: 88.1497
• European Community (EC) Number: 209-950-2
• NSC Number: 71162
• UNII: 93FF0F303R
• DSSTox Substance ID: DTXSID20862268
• Nikkaji Number: J43.343H
• Wikipedia: 3-Methyl-2-butanol
• Wikidata: Q4634173
• Metabolomics Workbench ID: 46203
• ChEMBL ID: CHEMBL443470
• Mol file: 598-75-4.mol

Synonyms:3-METHYL-2-BUTANOL;3-Methylbutan-2-ol;598-75-4;sec-Isoamyl alcohol;2-Methyl-3-butanol;2-Butanol, 3-methyl-;Methylisopropylcarbinol;Isopropylmethylcarbinol;1,2-Dimethylpropanol;1,2-Dimethyl-1-propanol;DL-3-Methyl-2-butanol;3-Methyl-butan-2-ol;(CH3)2CHCH(OH)CH3;FEMA No. 3703;(+/-)-3-Methyl-2-butanol;NSC 71162;UNII-93FF0F303R;CHEBI:77517;93FF0F303R;EINECS 209-950-2;MFCD00004527;NSC-71162;2-Butanol, 3-methyl-, (S)-;NSC71162;3-Methyl butan-2-ol;Isopropyl methyl carbinol;1,2-dimethylpropan-1-ol;Butan-2-ol, 3-methyl-;1,2-dimethylpropyl alcohol;(+)-3-Methyl-2-butanol;(?)-3-Methyl-2-butanol;3-Methyl-(S)-2-Butanol;3-Methyl-2-butanol, 98%;CHEMBL443470;FEMA 3703;DTXSID20862268;(.+/-.)-3-Methyl-2-butanol;3-METHYL-2-BUTANOL [MI];BCP29487;3-METHYL-2-BUTANOL [FHFI];AKOS000249588;(+/-)-2-METHYL-3-BUTANOL;3-METHYL-2-BUTANOL, (+/-)-;DL-3-Methyl-2-butanol, >=98%, FG;FT-0604375;FT-0604412;FT-0604463;M0171;Dl-3-Methyl-2-Butanol;EN300-60902;3-Methyl-2-butanol, purum, >=98.0% (GC);Q4634173

Chemical Property of 3-Methyl-2-butanol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 113.6 °C at 760 mmHg
• Flash Point: 26.7 °C
• PSA: 20.23000
• Density: 0.806 g/cm³
• LogP: 1.02320
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 32.9

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R10:Flammable.; R20:Harmful by inhalation.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC(C)C(C)O
• Use Description: 3-Methyl-2-butanol, also known as isopentyl alcohol, is a chemical compound with versatile applications across different fields. In the realm of chemistry, it serves as a common solvent for various reactions, making it valuable in laboratory settings for organic synthesis and extractions. In the field of flavor and fragrance, it is used as a flavoring agent and aroma compound, imparting fruity and banana-like notes to food products and perfumes. Additionally, in the pharmaceutical industry, it may find use as an intermediate in the synthesis of certain pharmaceuticals. Furthermore, in the paint and coating industry, it can be employed as a solvent or coalescing agent in the formulation of paints and coatings. Its multifaceted contributions underscore its significance in chemistry, flavor and fragrance, pharmaceuticals, and the coatings industry, offering a wide range of applications across these diverse fields.

Technology Process of 3-Methyl-2-butanol

There total 105 articles about 3-Methyl-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: 99.0%

3-methyl-butan-2-one (563-80-4) → 3-methyl-2-butanol (598-75-4)

Guidance literature:

With [(η5-C7H11)Ru(N,N’-bis(1,3,4,5-tetramethylimidazolin-2-ylidene)-1,2-ethanediamine)]BF; potassium hydroxide; In isopropyl alcohol; at 82 ℃; for 1h;

DOI:10.1039/c5dt01080b

Reference yield: 95.0%

3-methyl-butan-2-one (563-80-4) + O-benzyl carbamate (621-84-1) → 3-methyl-2-butanol (598-75-4) + benzyl (3-methylbutan-2-yl)carbamate (1444616-55-0)

Guidance literature:

With triethylsilane; sodium hexaflorophosphate; perrhenic acid anhydride; In dichloromethane; at 50 ℃; for 30h; chemoselective reaction;

DOI:10.1039/c3ob40918j

Reference yield: 84.0%

(2S,3R)-3-Hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-yl-pentane-1-selone → N-propylpyrrolidine (7335-07-1) + 3-methyl-2-butanol (598-75-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(02)02877-0

upstream raw materials:

2-methyl-1,2-epoxypropane

diethyl ether

methylmagnesium bromide

trimethyloxirane

Downstream raw materials:

2-methyl-2-butylamine

3-methyl-butan-2-one

2-methyl-2-butylchloride

3,4,5,5-tetramethyl-hex-2-ene

Refernces

• 1、 Murai, Toshiaki,Ishizuka, Masato,Suzuki, Akiko,Kato, Shinzi. "Reaction of lithium eneselenolates derived from selenoamides with ketones: A highly diastereoselective synthetic route to β,β-disubstituted β-hydroxy selenoamides". . p. 1343 - 1346. Retrieved 2003.
• 2、 Huo, Shangfei,Chen, Hong,Zuo, Weiwei. "A Cobalt(II) Complex Bearing the Amine(imine)diphosphine PN(H)NP Ligand for Asymmetric Transfer Hydrogenation of Ketones". supporting information. p. 37 - 42. Retrieved 2020/10/21.
• 3、 -. "Chromium-Catalyzed Production of Diols From Olefins". Paragraph 0111. . Retrieved 2021/03/19.