1120-97-4

Basic information

• Product Name: 4-METHYL-1,3-DIOXANE
• Synonyms: 4-METHYL-1,3-DIOXANE;1,3-BUTANEDIOL FORMAL;4-methyl-3-dioxane;4-Methyl-m-dioxane;m-Dioxane, 4-methyl-;4-METHYL-1,3-DIOXANE 99%;4-Methyl-1,3-dioxane, 99 % (GC);4-Methyl-1,3-dioxane,99%
• CAS NO: 1120-97-4
• Molecular Formula: C₅H₁₀O₂
• Molecular Weight: 102.13
• EINECS: 214-323-1
• Product Categories: Dioxanes;Dioxanes & Dioxolanes
• Mol File: 1120-97-4.mol
• Article Data: 11

Chemical Properties

• Melting Point: -45--44 °C
• Boiling Point: 114 °C
• Flash Point: 22 °C
• Appearance: Clear colorless/Liquid
• Density: 0.97
• Vapor Pressure: 24mmHg at 25°C
• Refractive Index: 1.414-1.416
• Storage Temp.: Flammables area
• Solubility: Chloroform (Soluble), DMSO (Slightly)
• CAS DataBase Reference: 4-METHYL-1,3-DIOXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-1,3-DIOXANE(1120-97-4)
• EPA Substance Registry System: 4-METHYL-1,3-DIOXANE(1120-97-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 37/39-26-16-36/37/39
• RIDADR: 1993
• RTECS: JH2200000
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 1120-97-4(Hazardous Substances Data)

Usage

Description

4-METHYL-1,3-DIOXANE is a clear colorless liquid that serves as an important intermediate in the chemical industry due to its unique properties and reactivity.

Uses

Used in the Chemical Industry:
4-METHYL-1,3-DIOXANE is used as a key intermediate for the preparation of high-purity 1,3-butylene glycol, which is a crucial component in the production of moisturizers and cosmetics. Its role in this application is to facilitate the synthesis of 1,3-butylene glycol, which is known for its moisturizing and skin-conditioning properties, making it a valuable ingredient in the cosmetics industry.
Used in the Cosmetics Industry:
4-METHYL-1,3-DIOXANE is used as a precursor for the production of 1,3-butylene glycol, which is an essential ingredient in moisturizers and cosmetics. The application reason is that 1,3-butylene glycol provides excellent moisturizing and skin-conditioning effects, making it a popular choice for formulating skincare products that aim to improve skin hydration and overall health.

Synthesis Reference(s)

Journal of the American Chemical Society, 69, p. 2007, 1947 DOI: 10.1021/ja01200a052

InChI:InChI=1/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1

Upstream product

• 50-00-0 formaldehyd 
• 187737-37-7 propene 
• 18826-95-4 1.3-butanediol 
• 7664-93-9 sulfuric acid 
• 7647-01-0 hydrogenchloride 
• 161616-29-1 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane 
• 124-38-9 carbon dioxide 
• 67-56-1 methanol 

Downstream Products

• 627-27-0 homoalylic alcohol 
• 71-36-3 butan-1-ol 
• 107-46-0 Hexamethyldisiloxane 
• 130824-89-4 3-Iodo-1-iodomethoxy-butane 
• 130824-88-3 1-Iodo-3-iodomethoxy-butane 
• 592-84-7 n-butyl formate 
• 75355-62-3 formic acid 3-hydroxybutyl ester 
• 75355-64-5 3-hydroxy-1-methylpropyl formate 
• 50-00-0 formaldehyd 
• 187737-37-7 propene 
• 106-99-0 buta-1,3-diene 
• 2517-43-3 3-methoxy butanol 
• 18826-95-4 1.3-butanediol 
• 1612143-28-8 (Z)-3-((4-bromophenyl)sulfonyl)-9-methyl-5-phenyl-3,7,8,9-tetrahydro-2H-1,6,3-dioxazonine 

Relevant articles and documents

Application of empirical and quantum-chemical computational methods in the determination of the free conformational energy of substituents in 1,3-dioxanes

The advantages and disadvantages of empirical and quantum-chemical methods for the determination of the free conformational energy of methyl and phenyl substituents at the C(4) and C(5) atoms of the ring in the molecules of 1,3-dioxanes are analyzed.

Synthesis and bactericidal activity of substituted cyclic acetals

A series of substituted cyclic acetals were synthesized and tested for their bactericidal activity against bacteria strain Azospirillum brasilense Sp245.

Biomass alcoholysis method for petroleum-based plastic POM

The invention discloses a biomass alcoholysis method for petroleum-based plastic POM. According to the method, simple biomass derivative alcohol and the petroleum-based plastic POM are allowed to generate a cyclic acetal product through dehydration condensation under catalytic conditions; low reaction cost and high added value are realized, and only water is byproduced and is easy to separate; and an obtained product has high added value, can be used for preparing organic solvents such as lignin and chromatographic analysis solvents, metal surface treatment agents or medical intermediates and monomers, realizes green, efficient and low-cost recovery, and has a high practical application value.

Ruthenium-Catalyzed Synthesis of Cyclic and Linear Acetals by the Combined Utilization of CO2, H2, and Biomass Derived Diols

Herein a transition-metal catalyst system for the selective synthesis of cyclic and linear acetals from the combined utilization of carbon dioxide, molecular hydrogen, and biomass derived diols is presented. Detailed investigations on the substrate scope enabled the selectivity of the reaction to be largely guided and demonstrated the possibility of integrating a broad variety of substrate molecules. This approach allowed a change between the favored formation of cyclic acetals and linear acetals, originating from the bridging of two diols with a carbon-dioxide based methylene unit. This new synthesis option paves the way to novel fuels, solvents, or polymer building blocks, by the recently established “bio-hybrid” approach of integrating renewable energy, carbon dioxide, and biomass in a direct catalytic transformation.