5468-06-4

Basic information

• Product Name: 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-
• Synonyms: 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-;PHENYLACETALDEHYDE-2,3-BUTYLENEGLYCOLACETAL
• CAS NO: 5468-06-4
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 0
• Mol File: 5468-06-4.mol

Chemical Properties

• Boiling Point: 263.9°Cat760mmHg
• Flash Point: 117.4°C
• Appearance: /
• Density: 1.016g/cm³
• Vapor Pressure: 1.1E-10mmHg at 25°C
• Refractive Index: 1.601
• CAS DataBase Reference: 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-(5468-06-4)
• EPA Substance Registry System: 1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)-(5468-06-4)

Safety Data

• Hazardous Substances Data: 5468-06-4(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
1,3-Dioxolane, 4,5-dimethyl-2-(phenylmethyl)is used as a flavoring agent for its sweet, fruity taste and as a fragrance ingredient for its floral, earthy scent. It is commonly used in the production of food, beverages, cosmetics, and perfumes to enhance their sensory properties and consumer appeal.

Preparation

By condensation of phenylacetaldehyde with 2,3-butylene glycol.

InChI:InChI=1/C17H16ClN3O3/c1-22-14-8-11(9-15(23-2)16(14)24-3)17-19-10-20-21(17)13-6-4-12(18)5-7-13/h4-10H,1-3H3

Upstream product

• 100-42-5 styrene 
• 513-85-9 2.3-butanediol 
• 536-74-3 phenylacetylene 

Downstream Products

• 79449-85-7 5-Phenyl-1,2-dimethyl-3-oxa-1-pentanol-4-d 

Relevant articles and documents

Palladium-catalyzed synthesis of terminal acetals via highly selective anti-Markovnikov nucleophilic attack of pinacol on vinylarenes, allyl ethers, and 1,5-dienes

A palladium-catalyzed reaction of vinylarenes, allyl ethers, and 1,5-dienes with pinacol proceeded via a selective anti-Markovnikov nucleophilic attack to afford corresponding terminal acetals as major products. The bulkiness of pinacol was found to be critical in controlling the regioselectivity. The Royal Society of Chemistry 2012.

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.