2,3-Dimethyl-2-butanol

Base Information

• Chemical Name: 2,3-Dimethyl-2-butanol
• CAS No.: 594-60-5
• Molecular Formula: C6H14 O
• Molecular Weight: 102.177
• Hs Code.: 29051900
• European Community (EC) Number: 209-847-2
• NSC Number: 2312
• UNII: ZWE5U7S6W9
• DSSTox Substance ID: DTXSID60208126
• Nikkaji Number: J2.706E
• Wikidata: Q73958678
• Mol file: 594-60-5.mol

Synonyms:2,3-DIMETHYL-2-BUTANOL;594-60-5;2,3-Dimethylbutan-2-ol;Thexyl alcohol;Isopropyldimethylcarbinol;2-Butanol, 2,3-dimethyl-;2,3-dimethyl-butan-2-ol;ZWE5U7S6W9;NSC 2312;NSC-2312;EINECS 209-847-2;AI3-17876;NSC2312;UNII-ZWE5U7S6W9;SCHEMBL22975;IKECULIHBUCAKR-UHFFFAOYSA-;DTXSID60208126;2,3-Dimethyl-2-butanol, 98%;(CH3)2CHC(OH)(CH3)2;MFCD00004463;AKOS009156774;CS-0234265;FT-0609693;EN300-140252

Chemical Property of 2,3-Dimethyl-2-butanol

Chemical Property:

• Vapor Pressure: 8.47mmHg at 25°C
• Melting Point: −14 °C(lit.)
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 120-121 °C(lit.)
• PKA: 15.24±0.29(Predicted)
• Flash Point: 29.4°C
• PSA: 20.23000
• Density: 0.814g/cm³
• LogP: 1.41330
• Storage Temp.: Flammables area
• Water Solubility.: 40.12g/L(25 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 55.2

Purity/Quality:

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

2,3-Dimethyl-2-butanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C)O
• Uses: 2,3-Dimethyl-2-butanol was used to study the absolute rate co-efficient of the reaction of hydroxyl radical with 2,3-dimethyl-2-butanol.

Technology Process of 2,3-Dimethyl-2-butanol

There total 76 articles about 2,3-Dimethyl-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: 100.0%

oct-1-ene (111-66-0,25068-25-1) + thexylchloroborane * dimethylsulfide (75067-06-0) → octanol (111-87-5) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 2,3-dimethylbutan-2-ol (594-60-5)

Guidance literature:

With methanol; dihydrogen peroxide; Product distribution; different solvents; other olefins;

DOI:10.1021/jo00344a022

Reference yield: 98.0%

2,3-dimethylbutane (79-29-8) → 2,3-dimethylbutan-2-ol (594-60-5)

Guidance literature:

With methyltrifluoromethyldioxirane; In dichloromethane; at -22 ℃; for 0.05h;

DOI:10.1021/ja00199a039

Reference yield: 97.0%

2,3-dimethyl-2,3-epoxybutane (5076-20-0) → 2,3-dimethylbutan-2-ol (594-60-5)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1055/s-1983-30550

upstream raw materials:

trimethyloxirane

diethyl ether

methylmagnesium bromide

3-methyl-butan-2-one

Downstream raw materials:

3,5-dinitro-benzoic acid-(1,1,2-trimethyl-propyl ester)

2,3-Dimethyl-1-butene

2,3-dimethyl-2-butylamine

2,3-dimethyl-2,3-butane diol

Refernces

• 1、 Lambert, Tristan H.,Steiniger, Keri A.. "Primary Alcohols via Nickel Pentacarboxycyclopentadienyl Diamide Catalyzed Hydrosilylation of Terminal Epoxides". . p. 8013 - 8017. Retrieved 2021/10/25.
• 2、 -. "METHOXYCARBONYLATION WITH FORMIC ACID AS CO SOURCE". Paragraph 0045-0047. . Retrieved 2019/02/24.