2-Isobutyl-4-methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Isobutyl-4-methyl-1,3-dioxolane
• CAS No.: 18433-93-7
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.214
• Hs Code.: 29329990
• European Community (EC) Number: 242-309-5
• DSSTox Substance ID: DTXSID50864836
• Nikkaji Number: J266.170E
• Metabolomics Workbench ID: 45324
• Mol file: 18433-93-7.mol

Synonyms:2-Isobutyl-4-methyl-1,3-dioxolane;18433-93-7;4-methyl-2-(2-methylpropyl)-1,3-dioxolane;1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-;Isovaleraldehyde propylene glycol acetal;UNII-TUG3U82JZS;cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane;EINECS 242-309-5;iso-Valeraldehyde propyleneglycol acetal 1;1,3-Dioxolane, 4-methyl-2-(2-methylpropyl), cis;1,3-Dioxolane, 4-methyl-2-(2-methylpropyl), trans;Isovaleraldehyde propyleneglycol acetal;3-Methylbutanal Propylene Glycol Acetal;iso-Valeraldehyde propyleneglycol acetal 2;TUG3U82JZS;SCHEMBL3505552;DTXSID50864836;CHEBI:179940;4-Methyl-2-isobutyl-1,3-dioxolane;MFCD00238528;AKOS006283221;1,3-Dioxolane, 2-isobutyl-4-methyl-;2-Isobutyl-4-methyl-1,3-dioxolane #;FT-0691716;I0896;D91211

Chemical Property of 2-Isobutyl-4-methyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 3.53mmHg at 25°C
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 157.6 °C at 760 mmHg
• Flash Point: 48 °C
• PSA: 18.46000
• Density: 0.891g/cm³
• LogP: 1.79390
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2-Isobutyl-4-methyl-1,3-dioxolane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1COC(O1)CC(C)C

Technology Process of 2-Isobutyl-4-methyl-1,3-dioxolane

There total 1 articles about 2-Isobutyl-4-methyl-1,3-dioxolane 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:

propylene glycol (57-55-6,63625-56-9) + isovaleraldehyde (590-86-3) → 2-isobutyl-4-methyl-1,3-dioxolane (18433-93-7)

Guidance literature:

Al-Fe pillared montmorillonite clay; In dichloromethane; at 60 ℃; for 8h;

DOI:10.1016/S0040-4020(97)10049-7

upstream raw materials:

propylene glycol

isovaleraldehyde

Refernces

• 1、 Romero, Jordi,Ventura, Francesc,Caixach, Josep,Rivera, Josep,Gode, Llui Xavier,Ninerola, Josep Ma.. "Identification of 1,3-dioxanes and 1,3-dioxolanes as malodorous compounds at trace levels in river water, groundwater, and tap water". . p. 206 - 216. Retrieved 2007/10/03.