2-Butyl-2-methyl-1,3-dioxolane-4-methanol

Base Information

• Chemical Name: 2-Butyl-2-methyl-1,3-dioxolane-4-methanol
• CAS No.: 5694-76-8
• Molecular Formula: C9H18O3
• Molecular Weight: 174.2374
• DSSTox Substance ID: DTXSID70972386
• Nikkaji Number: J42.135I
• Mol file: 5694-76-8.mol

Synonyms:2-Butyl-2-methyl-1,3-dioxolane-4-methanol;5694-76-8;BRN 0106677;1,3-DIOXOLANE-4-METHANOL, 2-BUTYL-2-METHYL-;5-19-02-00406 (Beilstein Handbook Reference);(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol;SCHEMBL1411990;DTXSID70972386;LS-62581

Chemical Property of 2-Butyl-2-methyl-1,3-dioxolane-4-methanol

Chemical Property:

• Vapor Pressure: 0.00657mmHg at 25°C
• Refractive Index: 1.5036 (estimate)
• Boiling Point: 240.5°Cat760mmHg
• Flash Point: 114.9°C
• PSA: 38.69000
• Density: 0.976g/cm³
• LogP: 1.30050
• Water Solubility.: 33.8g/L(25 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

2-BUTYL-2-METHYL-1,3-DIOXOLANE-4-METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(OCC(O1)CO)C

Technology Process of 2-Butyl-2-methyl-1,3-dioxolane-4-methanol

There total 2 articles about 2-Butyl-2-methyl-1,3-dioxolane-4-methanol 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: 84.0%

n-hexan-2-one (591-78-6) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2-butyl-2-methyl-4-hydroxymethyl-1,3-dioxolane (5694-76-8)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Heating;

Reference yield:

→ 2-butyl-2-methyl-4-hydroxymethyl-1,3-dioxolane (5694-76-8)

Guidance literature:

1-Hexen, Glycerol, PdCl2;

DOI:10.1021/jo01264a043

upstream raw materials:

n-hexan-2-one

glycerol