3-Methyl-3-buten-2-ol

Base Information

• Chemical Name: 3-Methyl-3-buten-2-ol
• CAS No.: 10473-14-0
• Molecular Formula: C5H10 O
• Molecular Weight: 86.1338
• Hs Code.: 2905290000
• European Community (EC) Number: 233-964-8
• UNII: KG8M3UNR9E
• DSSTox Substance ID: DTXSID30871205
• Nikkaji Number: J102.083H
• Wikidata: Q27282241
• Metabolomics Workbench ID: 48659
• Mol file: 10473-14-0.mol

Synonyms:3-Methyl-3-buten-2-ol;3-methylbut-3-en-2-ol;10473-14-0;3-Buten-2-ol, 3-methyl-;Methyl isopropenyl carbinol;xi-3-Methyl-3-buten-2-ol;KG8M3UNR9E;2-methyl-1-buten-3-ol;EINECS 233-964-8;AI3-28605;UNII-KG8M3UNR9E;3-methylbut-3-ene-2-ol;3-Methyl-3-buten-2-ol #;2-methyl-3-hydroxybut-1-ene;3-METHYLENE-2-BUTANOL;3-METHYLIDENEBUTAN-2-OL;CH2=C(CH3)CH(OH)CH3;DTXSID30871205;CHEBI:179697;MFCD00060892;AKOS006274365;SY145959;FT-0746212;3-METHYL-3-BUTEN-2-OL, (+/-)-;EN300-114325;Q27282241

Chemical Property of 3-Methyl-3-buten-2-ol

Chemical Property:

• Vapor Pressure: 11.1mmHg at 25°C
• Melting Point: 14.19°C (estimate)
• Refractive Index: 1.4227 (estimate)
• Boiling Point: 112.7°Cat760mmHg
• PKA: 14.56±0.20(Predicted)
• Flash Point: 29.6°C
• PSA: 20.23000
• Density: 0.829g/cm³
• LogP: 0.94330
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 57

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=C)C)O

Technology Process of 3-Methyl-3-buten-2-ol

There total 33 articles about 3-Methyl-3-buten-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: 98.0%

2-methylpropenal (78-85-3,25120-30-3) + methyllithium (917-54-4) → 3-methyl-3-buten-2-ol (10473-14-0)

Guidance literature:

In diethyl ether; at 0 ℃; for 1h;

DOI:10.1002/chem.200600851

Reference yield: 91.0%

trimethylsulphonium iodide (2181-42-2) + 2,3-cis-epoxybutane (925669-95-0) → 3-methyl-3-buten-2-ol (10473-14-0)

Guidance literature:

trimethylsulphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at -10 ℃; for 0.5h;

2,3-cis-epoxybutane; In tetrahydrofuran; hexane; at -10 - 20 ℃; Further stages.;

DOI:10.1021/ol016782y

Reference yield: 84.0%

methyl magnesium iodide (917-64-6) + 2-methylpropenal (78-85-3,25120-30-3) → 3-methyl-3-buten-2-ol (10473-14-0)

Guidance literature:

DOI:10.1016/S0040-4039(01)81561-6

upstream raw materials:

3-Methyl-3-buten-2-one

2-methylpropenal

2-methyl-but-2-ene

1-chloro-3-methylbut-2-ene

Downstream raw materials:

isoprene

3-methyl-butan-2-one

3-Methyl-3-buten-2-one

2-Methylbutyraldehyde