3773-93-1

Basic information

• Product Name: 2-methyl-1,3-dioxolane-4-methanol
• Synonyms: 2-methyl-1,3-dioxolane-4-methanol
• CAS NO: 3773-93-1
• Molecular Formula: C₅H₁₀O₃
• Molecular Weight: 118
• Mol File: 3773-93-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 187°C (estimate)
• Flash Point: 79°C
• Appearance: /
• Density: 1.1243
• Vapor Pressure: 0.18mmHg at 25°C
• Refractive Index: 1.4413
• CAS DataBase Reference: 2-methyl-1,3-dioxolane-4-methanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-1,3-dioxolane-4-methanol(3773-93-1)
• EPA Substance Registry System: 2-methyl-1,3-dioxolane-4-methanol(3773-93-1)

Safety Data

• Hazardous Substances Data: 3773-93-1(Hazardous Substances Data)

Usage

General Description

2-Methyl-1,3-dioxolane-4-methanol is a chemical compound that belongs to the group of dioxolane derivatives. It is a colorless liquid with a slightly sweet odor. This chemical is used as a solvent in the production of various products such as pharmaceuticals, coatings, and adhesives. It is also used as a stabilizer in the processing of polymers and as an intermediate in the synthesis of other organic compounds. Additionally, it can be used as a chemical reagent in organic reactions. 2-Methyl-1,3-dioxolane-4-methanol is flammable and should be handled and stored with caution to prevent any potential hazards.

InChI:InChI=1/C5H10O3/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 75-07-0 acetaldehyde 
• 56-81-5 glycerol 
• 123-63-7 paracetaldehyde 
• 64-17-5 ethanol 
• 67-64-1 acetone 

Downstream Products

• 75-07-0 acetaldehyde 
• 56-81-5 glycerol 

Relevant articles and documents

Synthesis of biodiesel without formation of free glycerol

A new approach to the synthesis of biodiesel has been developed on the basis of alcoholysis of a triglyceride in combination with acetalization of glycerol with lower carbonyl compounds or acetals derived therefrom. A model synthesis of biodiesel not involving free glycerol has been accomplished using rapeseed oil and acid catalysts, as well as without a catalyst under generation of ethanol supercritical fluid; in the latter case, monoalkyl glycerol ethers are formed in addition to the expected cyclic ketals.

Heterocyclic acetals from glycerol and acetaldehyde in port wines: Evolution with aging

In Port wine, isomers of glycerol and acetaldehyde acetals have been found at total contents ranging from 9.4 to 175.3 mg/L. During oxidative aging, the concentrations of the 5-hydroxy-2-methyl-1,3-ioxane and 4-hydroxymethyl-2-methyl-1,3-dioxolane isomers increased with time showing a linear correlation (r > 0.95). The flavor threshold for the mixture of the four isomers was evaluated in wine at 100 mg/L. Thus, it is expected that they contribute to old Port wine aroma in wines older than 30 years. Experiments with model solutions and wine clearly demonstrated that SO2 combines with acetaldehyde and blocks the acetalization reaction.

NMR Spectra, MO Calculations of Spin-Spin Coupling Constants and Conformational Analysis of Substituted 1,3-Dioxolanes

The NMR spectra of a number of 2,4-disubstituted 1,3-dioxolanes have been recorded and the proton chemical shifts and coupling constants derived from complete spectral analysis.Vicinal coupling constants were found to be dependent on the substituent at C-4 and this effect is more pronounced for J(trans) of the C-4 - C-5 fragment.These coupling constants also indicate a homogeneous behaviour within a series with either a cis or trans configuration, although the cis behaviour differs from that of trans isomers.This has been interpreted in terms of definite ring conformations in substituted derivatives, while the unsubstituted 1,3-dioxolane undergoes free pesudorotation.Calculations of coupling constants were performed by semi-empirical MO methods, both for unsubstituted 1,3-dioxolane and for C-4 substituted derivatives in a large number of conformations, in order to compare calculated and experimental values; the correct order of J(cis) and J(trans) for 1,3-dioxolane is obtained only by employing energies from ab-inito MO calculations averaged over the pseudorotation circuit.For the C-4 substituted compounds calculated coupling constants were employed in a 'trial and error' process for the identification of the preferred conformations of these compounds; a set of two torsional angles for each compound was derived which allows a tentative description of the geometry of each molecule.A criticism of these geometries is given according to the evidence available on the structure of substituted 1,3-dioxolanes.