1587-04-8

Basic information

• Product Name: 1-ALLYL-2-METHYLBENZENE
• Synonyms: 1-ALLYL-2-METHYLBENZENE;3-(2-METHYLPHENYL)-1-PROPENE;BENZENE,1-METHYL-2-(2-PROPENY);1-methyl-2-prop-2-enyl-benzene;1-Methyl-2-(2-propenyl)benzene;o-Allyltoluene;1-Allyl-2-methylbenzene, 1-Methyl-2-(prop-2-en-1-yl)benzene;1-Allyl-2-methylbenzene 97%
• CAS NO: 1587-04-8
• Molecular Formula: C₁₀H₁₂
• Molecular Weight: 132.2
• Mol File: 1587-04-8.mol
• Article Data: 35

Chemical Properties

• Melting Point: -41.43°C (estimate)
• Boiling Point: 174.85°C
• Flash Point: 54℃
• Appearance: /
• Density: 0.895 g/mL at 25 °C
• Vapor Pressure: 0.976mmHg at 25°C
• Refractive Index: n20/D1.517
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 1-ALLYL-2-METHYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ALLYL-2-METHYLBENZENE(1587-04-8)
• EPA Substance Registry System: 1-ALLYL-2-METHYLBENZENE(1587-04-8)

Safety Data

• Hazard Codes: T,Xn
• Statements: 10-22-41
• Safety Statements: 26-39
• WGK Germany: 2
• Hazardous Substances Data: 1587-04-8(Hazardous Substances Data)

Usage

Description

1-Allyl-2-methylbenzene, also known as 2-allyltoluene, is an alkylbenzene chemical compound with the molecular formula C10H12 and a molecular weight of 132.20 g/mol. It is a colorless liquid that serves as a versatile precursor in the synthesis of various organic compounds, including pharmaceuticals, fragrances, and polymers.

Uses

Used in Pharmaceutical Industry:
1-Allyl-2-methylbenzene is used as a precursor in the synthesis of pharmaceuticals for its ability to be chemically modified and incorporated into various drug molecules.
Used in Fragrance Industry:
1-Allyl-2-methylbenzene is used as a flavor and fragrance ingredient due to its sweet, floral, and balsamic odor, adding unique scents to perfumes, cosmetics, and other scented products.
Used in Polymer and Resin Production:
1-Allyl-2-methylbenzene is used as a building block in the production of polymers and resins, contributing to the development of materials with specific properties for various applications.
However, it is important to note that exposure to high levels of 1-allyl-2-methylbenzene may cause irritation to the skin, eyes, and respiratory system, as well as potential long-term health effects, necessitating proper handling and safety measures during its use.

InChI:InChI=1/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3

Upstream product

• 932-31-0 ortho-tolylmagnesium bromide 
• 107-05-1 3-chloroprop-1-ene 
• 95-46-5 2-methylphenyl bromide 
• 1111-72-4 carbon dioxide 
• 35466-83-2 allyl methyl carbonate 
• 106-95-6 allyl bromide 
• 14418-84-9 allylsulfonyl chloride 
• 33872-80-9 o-tolyl magnesium chloride 
• 7722-84-1 dihydrogen peroxide 
• 615-37-2 ortho-methylphenyl iodide 
• 16419-60-6 2-Methylphenylboronic acid 
• 107-18-6 allyl alcohol 
• 24850-33-7 allyltributylstanane 
• 6729-59-5 tris(2-methylphenyl)bismuth difluoride 

Downstream Products

• 103859-79-6 1-methyl-2-(2,4,4,4-tetrachloro-butyl)-benzene 
• 2077-33-0 1-methyl-2-[(1Z)-prop-1-en-1-yl]benzene 
• 2077-34-1 (E)-1-(o-methylphenyl)-1-propene 
• 80920-27-0 <2-chloro-3-(o-tolyl)propyl>phosphonic dichloride 
• 100-42-5 styrene 
• 119-64-2 tetralin 
• 447-53-0 1,2-Dihydronaphthalene 
• 95-13-6 1-indene 
• 14918-24-2 β-methyl-3-methylstyrene 
• 187737-37-7 propene 
• 74-85-1 ethene 
• 6943-79-9 4-(2-methylphenyl)butanoic acid 
• 103860-08-8 1,1-dichloro-4ξ-o-tolyl-buta-1,3-diene 
• 1067909-06-1 (E)-1-phenyl-2-(3-o-tolylallyl)butane-1,3-dione 

Relevant articles and documents

Phosphazene base-promoted halogen-zinc exchange reaction of aryl iodides using diethylzinc

The use of catalytic t-Bu-P4 base dramatically improved the performance of halogen-zinc exchange of aryl iodides, and the arylzinc derivatives were functionalized under copper-free reaction conditions. The Royal Society of Chemistry 2006.

Photochemical Strategy for Carbon Isotope Exchange with CO2

A photocatalytic approach for carbon isotope exchange is reported. Utilizing [13C]CO2 and [14C]CO2 as primary C1 sources, this protocol allows the insertion of the desired carbon isotope into phenyl acetic acids without the need for structural modifications or prefunctionalization in one single step. The exceptionally mild conditions required for this traceless transformation are in stark contrast with those for previous methods requiring the use of harsh thermal conditions.

Palladium-catalyzed allylic C-H oxidation under simple operation and mild conditions

We discovered an effective and simple system (Pd/BQ/air/r.t.) for making allylic alcohols through Pd-catalyzed allylic C-H bond functionalization. This approach exhibits advantages due to its simple operation, mild conditions, and environmentally benign features. By modifying reaction conditions, it can be suitable for preparing unsaturated aldehydes, allylic esters, ethers, and amines.

Catalytic Oxidative Trifluoromethoxylation of Allylic C?H Bonds Using a Palladium Catalyst

A catalytic intermolecular allylic C?H trifluoromethoxylation reaction of alkenes has been developed based on the use of a palladium catalyst, CsOCF3 as the trifluoromethoxide source, and benzoquinone as the oxidant. This reaction provides an efficient route for directly accessing allylic trifluoromethoxy derivatives with excellent regioselectivities from terminal alkenes via an allylic C?H bond activation process.