878-57-9

Basic information

• Product Name: 1,3-Dioxane,2-methyl-2-phenyl-
• Synonyms: m-Dioxane,2-methyl-2-phenyl- (7CI,8CI); 2-Methyl-2-phenyl-1,3-dioxane; Acetophenonecyclic trimethylene acetal; NSC 71460
• CAS NO: 878-57-9
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.2277
• Mol File: 878-57-9.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 260.1°C at 760 mmHg
• Flash Point: 114.7°C
• Appearance: /
• Density: 1.041g/cm³
• Vapor Pressure: 0.0202mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: 1,3-Dioxane,2-methyl-2-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane,2-methyl-2-phenyl-(878-57-9)
• EPA Substance Registry System: 1,3-Dioxane,2-methyl-2-phenyl-(878-57-9)

Safety Data

• Hazardous Substances Data: 878-57-9(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Faint

Usage

Commonly used as a solvent in various industrial processes

Health risk

Potential carcinogen

Classification

Probable human carcinogen by the International Agency for Research on Cancer

Exposure routes

Inhalation, ingestion, or skin contact

Handling and disposal

Should be done with caution to minimize risks to human health and the environment

InChI:InChI=1/C11H14O2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3

Upstream product

• 17887-80-8 1,3-bis(trimethylsiloxy)propane 
• 98-86-2 acetophenone 
• 5684-32-2 2-methyl-2-phenyl-[1,3]oxathiolane 
• 504-63-2 trimethyleneglycol 
• 6331-22-2 2-methyl-2-phenyl-[1,3]dithiane 
• 4316-35-2 acetophenone dimethyl acetal 
• 3674-77-9 2-methyl-2-phenyl-1,3-dioxolane 
• 536-74-3 phenylacetylene 

Downstream Products

• 6331-22-2 2-methyl-2-phenyl-[1,3]dithiane 
• 5769-02-8 2-methyl-2-phenyl[1,3]dithiolane 
• 1636-34-6 2,3-diphenyl-2,3-butanediol 
• 98-86-2 acetophenone 
• 504-63-2 trimethyleneglycol 

Relevant articles and documents

Indium(III) triflate catalysed transacetalisation reactions of diols and triols under solvent-free conditions

Acyclic acetals and ketals undergo transacetalisation in the presence of catalytic quantities of indium(III) triflate (In(OTf)3) and diols or triols under solvent-free conditions to generate the corresponding cyclic acetals and ketals in excellent yield. The methodology has been further developed to encompass a tandem acetalisation-acetal exchange protocol, which provides a facile and high yielding route to cyclic ketals from unreactive ketones under very mild reaction conditions.

Acetalization of carbonyl compounds catalyzed by bismuth triflate under solvent-free conditions

Carbonyl compounds were converted to the corresponding 1,3-dioxolanes and 1,3-dioxanes with ethylene glycol and 1,3-propandiol in the presence of bismuth triflate under solvent-free conditions. In addition, high chemoselective protection of aldehydes in the presence of ketones has been achieved.

Regioselective transformation of alkynes into cyclic acetals and thioacetals with a gold(I) catalyst: comparison with Br?nsted acid catalysts

Au(I) catalyzes the transformation of alkynes into cyclic acetals and thioacetals at much higher rate than Br?nsted acids. The reaction appears to be general for a range of alkynes and diols or dithiols, which are efficiently transformed with high selectivities. One of the salient features of this reaction process is the high reactivity of the enol ether or enol thioether intermediates, which undergo a rapid isomerization reaction to afford the cyclic acetals or thioacetals, so that isolation or subsequent activation processes are not required. This type of reactions allows us to synthesize a series of fragrances.