2,3,3-Trimethyl-2-butanol

Base Information

• Chemical Name: 2,3,3-Trimethyl-2-butanol
• CAS No.: 594-83-2
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 2905190098
• European Community (EC) Number: 841-330-2
• NSC Number: 227929
• UNII: Q88WLX6PCR
• DSSTox Substance ID: DTXSID40208129
• Nikkaji Number: J95.488H
• Wikidata: Q83082223
• Mol file: 594-83-2.mol

Synonyms:2,3,3-Trimethyl-2-butanol;594-83-2;2,3,3-trimethylbutan-2-ol;Ethanol, pentamethyl-;2,3,3-Trimethyl 2-butanol;2-Butanol, 2,3,3-trimethyl-;Q88WLX6PCR;MFCD00060887;NSC 227929;NSC-227929;2-Butanol, 2,3,3-trimethyl- (8CI)(9CI);Pentamethylethanol;NSC227929;UNII-Q88WLX6PCR;2-tert-Butyl-2-propanol;2,3-Trimethyl-2-butanol;2-Butanol,3,3-trimethyl-;SCHEMBL437448;DTXSID40208129;HMS1787E06;1,1,2,2-tetramethylpropyl alcohol;C(C)(C)(C)C(C)(C)O;AC6426;AKOS001032094;SB85174;AS-10330;SY011061;CS-0230469;FT-0693281;EN300-104106;A917852;Z56762576

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

Chemical Property:

• Vapor Pressure: 4.1mmHg at 25°C
• Melting Point: 17°C
• Refractive Index: 1.4280
• Boiling Point: 131.5°Cat760mmHg
• PKA: 15.38±0.29(Predicted)
• Flash Point: 33.6°C
• PSA: 20.23000
• Density: 0.82g/cm³
• LogP: 1.80340
• Storage Temp.: 2-8°C
• Water Solubility.: 21.53g/L(40 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 76.9

Purity/Quality:

97% ^*data from raw suppliers

2,3,3-Trimethyl-2-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C)(C)O

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

There total 9 articles about 2,3,3-Trimethyl-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: 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

Reference yield: 20.0%

2,3,3-trimethyl-2-butyl peroxybenzoate (99051-01-1) + phenylmagnesium bromide → triphenylmethyl alcohol (76-84-6) + 2,3,3-trimethyl-2-butanol (594-83-2) + (1,1,2,2-Tetramethyl-propoxy)-benzene + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

In diethyl ether; Ambient temperature;

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

Reference yield: 10.2%

methyllithium (917-54-4) + pivaloyl chloride (3282-30-2) → 2,2,6,6-tetramethylheptane-3,5-dione (1118-71-4) + 2,3,3-trimethyl-2-butanol (594-83-2)

Guidance literature:

In diethyl ether; toluene; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.3390/molecules17066424

upstream raw materials:

diethyl ether

2-chloro-2,3,3-trimethyl-butane

isopropylmagnesium chloride

2,2,3-trimethylbut-1-ene

Downstream raw materials:

2,2,3,3-tetramethyl-butyric acid

2-chloro-2,3,3-trimethyl-butane

triptane

2,2,3-trimethylbut-1-ene