2-Methyl-2-hexanol

Base Information

• Chemical Name: 2-Methyl-2-hexanol
• CAS No.: 625-23-0
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 2905199090
• European Community (EC) Number: 210-881-5
• NSC Number: 21977
• UNII: F7VY9G4LKD
• DSSTox Substance ID: DTXSID30870713
• Nikkaji Number: J500B
• Mol file: 625-23-0.mol

Synonyms:2-METHYL-2-HEXANOL;2-Methylhexan-2-ol;625-23-0;Butyldimethylcarbinol;2-Hexanol, 2-methyl-;tert-Heptanol;2-methyl-hexan-2-ol;tert-HEPTYL ALCOHOL;1,1-Dimethyl-1-pentanol;EINECS 210-881-5;MFCD00004486;NSC 21977;NSC-21977;28929-86-4;NSC21977;Methyl-2 hexanol-2;2-Methyl-2-hexanoI;tert-Heptanol (9CI);2-Methyl-2-hydroxyhexane;F7VY9G4LKD;SCHEMBL51789;2-Methyl-2-hexanol, 97%;KRIMXCDMVRMCTC-UHFFFAOYSA-;DTXSID30870713;AKOS009158465;BS-22930;LS-74712;SY051607;CS-0181812;FT-0612920;M0542;D91354

Chemical Property of 2-Methyl-2-hexanol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
• Vapor Pressure: 2.2mmHg at 25°C
• Melting Point: -30.45°C (estimate)
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 141-142 °C(lit.)
• PKA: 15.38±0.29(Predicted)
• Flash Point: 105 °F
• PSA: 20.23000
• Density: 0.812 g/mL at 25 °C(lit.)
• LogP: 1.94750
• Storage Temp.: Flammables area
• Water Solubility.: 9.61g/L(25 oC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCC(C)(C)O
• Uses: 2-Methyl-2-hexanol was used in the preparation of esterified phenol. It is used to study the effect of organic solvent on the equillibrium of lipase-catalyzed esterification of glycerol and decanoic acid.

Technology Process of 2-Methyl-2-hexanol

There total 37 articles about 2-Methyl-2-hexanol 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: 67.0%

1-bromo-butane (109-65-9) + acetone (67-64-1) → 2-methylhexan-2-ol (625-23-0)

Guidance literature:

1-bromo-butane; With magnesium; In tetrahydrofuran; Inert atmosphere; Schlenk technique;

acetone; In tetrahydrofuran; at 0 ℃; Inert atmosphere; Schlenk technique;

With hydrogenchloride; water; In tetrahydrofuran; at 0 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201402857

Reference yield: 27.0%

n-hexan-2-one (591-78-6) → 2-methylhexan-2-ol (625-23-0) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9)

Guidance literature:

With heptanal; 1,2-bis-(diphenylphosphino)ethane; In dichloromethane; at 0 ℃; for 6h;

Reference yield: 22.0%

n-butyllithium (109-72-8,29786-93-4) + 2,3,3-trimethyl-2-butyl peroxybenzoate (99051-01-1) → 2-methylhexan-2-ol (625-23-0) + 2,3,3-trimethyl-2-butanol (594-83-2) + 5-phenylnonan-5-ol (1855-13-6) + 2-Butoxy-2,3,3-trimethyl-butane

Guidance literature:

In hexane; at 0 ℃; for 2h;

DOI:10.1016/S0040-4039(00)98586-1

upstream raw materials:

2-methyl-1,2-epoxypropane

di-n-propylmagnesium

ethyl n-valerate

methylmagnesium bromide

Downstream raw materials:

2-Methylhexane

2-chloro-2-methylhexane

2-methyl-2-hexene

2-methyl-1-hexene

Refernces

• 1、 Pierotti,Stewart. "-". . p. 1773. Retrieved 1937.
• 2、 Kozlov, Yuriy N.,Nizova, Galina V.,Shul'pin, Georgiy B.. "Alkane oxidation by the system 'tert-butyl hydroperoxide-[Mn 2L2O3][PF6]2 (L = 1,4,7trimethyl-1,4,7-triazacyclononane)-carboxylic acid'". . p. 119 - 126. Retrieved 2008/09/20.
• 3、 Firouzabadi, Habib,Iranpoor, Nasser,Hazarkhani, Hassan. "Efficient tetrahydropyranylation of alcohols and detetrahydropyranylation reactions in the presence of catalytic amount of trichloroisocyanuric acid (TCCA) as a safe, cheap industrial chemical". . p. 3623 - 3630. Retrieved 2007/10/03.