2-Methylpentan-2-ol

Base Information

• Chemical Name: 2-Methylpentan-2-ol
• CAS No.: 590-36-3
• Molecular Formula: C6H14 O
• Molecular Weight: 102.177
• Hs Code.: 29051900
• European Community (EC) Number: 209-681-0
• NSC Number: 8686
• UN Number: 2560
• UNII: HU2SO831KP
• DSSTox Substance ID: DTXSID4060440
• Nikkaji Number: J59.832A
• Wikipedia: 2-Methyl-2-pentanol
• Wikidata: Q3278296
• ChEMBL ID: CHEMBL450417
• Mol file: 590-36-3.mol

Synonyms:2-METHYL-2-PENTANOL;2-Methylpentan-2-ol;590-36-3;2-Pentanol, 2-methyl-;2-Hydroxy-2-methylpentane;1,1-Dimethylbutanol;2-Methyl-2-hydroxypentane;UNII-HU2SO831KP;HU2SO831KP;NSC 8686;NSC-8686;EINECS 209-681-0;UN2560;DIMETHYLPROPYLCARBINOL;Methyl-2 pentanol-2;2-methyl-pentan-2-ol;Dimethyl propyl carbinol;1,1-dimethyl-1-butanol;SCHEMBL12496;4-METHYL-4-PENTANOL;2-Methyl-2-pentanol, 99%;2-Methylpentan-2-ol [UN2560] [Flammable liquid];CHEMBL450417;DTXSID4060440;2-METHYL-2-AMYL ALCOHOL;NSC8686;4-HYDROXY-4-METHYLPENTANE;MFCD00004485;NA2560;AKOS009156538;UN 2560;FT-0612925;M1178;EN300-61549;D91458;Q3278296;Z449374450

Chemical Property of 2-Methylpentan-2-ol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO YELLOW LIQUID
• Vapor Pressure: 7.01mmHg at 25°C
• Melting Point: -107 °C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 120-122 °C(lit.)
• PKA: 15.38±0.29(Predicted)
• Flash Point: 21.1°C
• PSA: 20.23000
• Density: 0.816g/cm³
• LogP: 1.55740
• Storage Temp.: Flammables area
• Solubility.: 32.4g/l
• Water Solubility.: Soluble in water at 20°C 32g/L. Soluble in alcohol.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 48.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

2-Methyl-2-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCC(C)(C)O
• Uses: It is used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site. It may initiate the polymerization of isocyanates and epoxides.

Technology Process of 2-Methylpentan-2-ol

There total 43 articles about 2-Methylpentan-2-ol 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: 96.7%

1-propylmagnesium chloride (2234-82-4) + acetone (67-64-1) → 2-methylpentan-2-ol (590-36-3)

Guidance literature:

1-propylmagnesium chloride; acetone; In tetrahydrofuran; at -5 - 0 ℃;

With water; at 40 ℃; Reagent/catalyst;

Reference yield: 90.0%

2-methyl-2-propyl-oxirane (96481-54-8) → 2-methylpentan-2-ol (590-36-3)

Guidance literature:

With sodium tert-pentoxide; sodium hydride; zinc(II) chloride; In 1,2-dimethoxyethane; at 65 ℃; for 12h;

Reference yield: 77.0%

2-Methylpentane (107-83-5) → 2-methylpentan-2-ol (590-36-3)

Guidance literature:

With 4-nitroperbenzoic acid; In chloroform; at 60 ℃;

upstream raw materials:

2-methyl-1,2-epoxypropane

diethyl ether

diethylmagnesium

ethylmagnesium bromide

Downstream raw materials:

phenyl-carbamic acid-(1,1-dimethyl-butyl ester)

4-(2-methylpentan-2-yl )phenol

2-methylpentane-2-thiol

1,1-dimethylbutyl hydroperoxide