40364-79-2

Basic information

• Product Name: 2-(diethoxymethyl)propane-1,3-diol
• CAS NO: 40364-79-2
• Molecular Formula: C₈H₁₈O₄
• Molecular Weight: 178.2261
• Mol File: 40364-79-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 294.1°C at 760 mmHg
• Flash Point: 131.7°C
• Density: 1.054g/cm³
• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.451
• CAS DataBase Reference: 2-(diethoxymethyl)propane-1,3-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(diethoxymethyl)propane-1,3-diol(40364-79-2)
• EPA Substance Registry System: 2-(diethoxymethyl)propane-1,3-diol(40364-79-2)

Safety Data

• Hazardous Substances Data: 40364-79-2(Hazardous Substances Data)

Usage

Appearance

Colorless, odorless liquid

Usage

Production of polymers, stabilizer for natural oils and fats

Health risk

Potential carcinogen, classified as Group 2A substance by IARC

Health effects

Increased risk of cancer, particularly in the gastrointestinal tract

Occurrence

Formed during refining of vegetable oils and found in certain food products

Efforts to reduce levels

Being made to limit human exposure due to potential health risks

Upstream product

• 87-13-8 diethyl 2-ethoxymethylenemalonate 
• 7251-32-3 diethoxymethylmalonic acid diethyl ester 

Downstream Products

• 40364-80-5 bis-(hydroxymethyl)-acetaldehyde 
• 680201-68-7 3-benzyloxy-2-(benzyloxymethyl)propanal diethylacetal 
• 40364-81-6 3-Hydroxy-2-hydroxymethylpropanal-2,4-dinitrophenylhydrazon 

Relevant articles and documents

Enzymatic synthesis of a branched-chain hexulose: 5-Deoxy-5-C- hydroxymethyl-β-L-xylo-hex-2-ulopyranose

The coupling of dihydroxyacetone phosphate with 3-hydroxy-2- (hydroxymethyl)propanal (1) in the presence of rabbit muscle aldolase afforded a branched-chain hexulose phosphate isolated in 64% yield as the barium salt 3. The parent, dephosphorylated sugar 4 was converted to its anhydro derivative 8 and glycoside 9.

Synthesis and lipase-catalyzed asymmetric acetylation of 3-hydroxyl-2-hydroxymethylpropanal acetals

Prochiral dialkylacetal derivatives of 3-hydroxy-2-hydroxymethylpropanal 6a-e were synthesized from the corresponding 2-substituted diethyl malonates 5a-e and subjected to asymmetric enzymatic acetylation. The diethyl malonates 5a-f were prepared from diethyl chloromethylenemalonate 3 by using either a one- or a two-step process. Asymmetric acetylation of 3-hydroxy-2-hydroxymethylpropanal diethyl acetal 6b with several enzymes was studied first, showing the highest enantiotopic selectivity with lipase from Pseudomonas fluorescens (PFL). Solvent effect was also investigated: the best selectivity was obtained in a mixture of hexane and diethyl ether. Furthermore, several other acetals 6a-e were also tested under the optimal acetylation conditions.

Procedure for making trimethylolmethane

A process for the production of trimethylolmethane in high yields. Trimetolmethane is useful as the essential precurser to trimethylolmethane trinitrate, a high-energy plasticizer and explosive.