3-Methyl-3-pentanol

Base Information

• Chemical Name: 3-Methyl-3-pentanol
• CAS No.: 77-74-7
• Molecular Formula: C6H14O
• Molecular Weight: 102.177
• Hs Code.: 29051990
• European Community (EC) Number: 201-053-4
• NSC Number: 75837
• UNII: SR4551FEKB
• DSSTox Substance ID: DTXSID0021755
• Nikkaji Number: J69.490H
• Wikipedia: 3-Methyl-3-pentanol
• Wikidata: Q3278336
• Metabolomics Workbench ID: 3395
• ChEMBL ID: CHEMBL506184
• Mol file: 77-74-7.mol

Synonyms:3-METHYL-3-PENTANOL;77-74-7;3-Methylpentan-3-ol;3-Pentanol, 3-methyl-;Methyldiethylcarbinol;Methyldiaethylcarbinol;Methyldiaethylcarbinol [German];3-Methyl-pentanol-(3);3-methyl-pentan-3-ol;3-Methyl-pentanol-(3) [German];EINECS 201-053-4;NSC 75837;BRN 1731456;SR4551FEKB;NSC-75837;4-01-00-01723 (Beilstein Handbook Reference);Diethylmethylcarbinol;2-ethyl-2-butanol;Methyl-3 pentanol-3;UNII-SR4551FEKB;SCHEMBL23931;3-Methyl-3-pentanol, 99%;CHEMBL506184;DTXSID0021755;FRDAATYAJDYRNW-UHFFFAOYSA-;3-HYDROXY-3-METHYLPENTANE;3-METHYL-3-PENTYL ALCOHOL;NSC75837;LMFA05000537;MFCD00004483;1-ETHYL-1-METHYL-1-PROPANOL;3-Methyl-3-pentanol, >=98%, FG;AKOS009158982;BS-22307;LS-101903;FT-0616081;M0387;EN300-75688;F16452;A839180;Q3278336;W-104301;Z449374480;2-Ethyl-2-butanol, 3-methyl-3-pentano, tert-hexyl alcohol, 3-METHYLPENTAN-3-OL, 3-METHYL-3-PENTANOL, Methyl-3 pentanol-3, Diethylmetylcarbinol

Chemical Property of 3-Methyl-3-pentanol

Chemical Property:

• Appearance/Colour: Colorless, flammable liquid.
• Vapor Pressure: 6.65mmHg at 25°C
• Melting Point: -38 °C(lit.)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 122.4 °C at 760 mmHg
• PKA: 15.38±0.29(Predicted)
• Flash Point: 46.1 °C
• PSA: 20.23000
• Density: 0.816 g/cm³
• LogP: 1.55740
• Water Solubility.: slightly
• 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: 46.1

Purity/Quality:

98% ^*data from raw suppliers

3-Methyl-3-pentanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-2017/10/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)(CC)O

Technology Process of 3-Methyl-3-pentanol

There total 83 articles about 3-Methyl-3-pentanol 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: 90.0%

3-methylpentane (96-14-0) → 3-methylpentan-3-ol (77-74-7) + 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With oxygen; In dichloromethane; at 25 ℃; for 2h; under 760.051 Torr;

DOI:10.1021/jacs.7b09553

Reference yield: 61.0%

3-methylpentane (96-14-0) → 3-methylpentan-3-ol (77-74-7) + 3-methyl-pentan-2-one (565-61-7,55156-16-6) + 3-Methyl-2,4-pentanedione (815-57-6)

Guidance literature:

With iodosylbenzene; In dichloromethane; at 25 ℃; for 2h; Solvent; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.1021/jacs.7b09553

Reference yield: 24.0%

3-methylpentane (96-14-0) → 3-methylpentan-2-ol (565-60-6) + 3-methyl-1-pentanol (589-35-5,20281-83-8) + 3-methylpentan-3-ol (77-74-7) + 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With iodosylbenzene; In dichloromethane; at 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.7b09553

upstream raw materials:

ethylmagnesium iodide

diethyl ether

benzhydryl acetate

potassium acetate

Downstream raw materials:

emylcamate

3-methyl-2-pentene

3-Methyl-cis-2-penten

(E)-3-methyl-2-pentene

Refernces

• 1、 Guo, Qihang,Ren, Xiang,Lu, Zhan. "Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates". supporting information. p. 880 - 884. Retrieved 2019/05/16.
• 2、 Huang, Ning,Yuan, Shuai,Drake, Hannah,Yang, Xinyu,Pang, Jiandong,Qin, Junsheng,Li, Jialuo,Zhang, Yingmu,Wang, Qi,Jiang, Donglin,Zhou, Hong-Cai. "Systematic Engineering of Single Substitution in Zirconium Metal-Organic Frameworks toward High-Performance Catalysis". supporting information. p. 18590 - 18597. Retrieved 2017/12/15.