530-45-0

Basic information

• Product Name: 1,1-di-p-tolylethane
• Synonyms: 1,1-di-p-tolylethane;1,1'-Ethylidenebis(4-methylbenzene);1,1'-Ethylidenebis[4-methylbenzene];4,4'-Ethylidenebistoluene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
• CAS NO: 530-45-0
• Molecular Formula: C₁₆H₁₈
• Molecular Weight: 210.31412
• EINECS: 208-480-5
• Mol File: 530-45-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: -19.9°C
• Boiling Point: 284.85°C (rough estimate)
• Flash Point: 142.1°C
• Appearance: /
• Density: 0.9761 (estimate)
• Vapor Pressure: 0.00218mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• CAS DataBase Reference: 1,1-di-p-tolylethane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-di-p-tolylethane(530-45-0)
• EPA Substance Registry System: 1,1-di-p-tolylethane(530-45-0)

Safety Data

• Hazardous Substances Data: 530-45-0(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Sweet

Uses

a. Precursor in the production of dyes
b. Precursor in the production of pharmaceuticals
c. Precursor in the production of fragrances
d. Solvent in various industrial processes

Toxicity

Relatively low

Flammability

Flammable

Safety measures

Handle with care and follow proper safety measures to minimize exposure and potential hazards.

InChI:InChI=1/C16H18/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11,14H,1-3H3

Upstream product

• 2919-20-2 1,1-di(p-tolyl)ethylene 
• 58539-00-7 2,2-bis(4-methylphenyl)propionic acid 
• 75-34-3 1,1-dichloroethane 
• 108-88-3 toluene 
• 74-86-2 acetylene 
• 123-63-7 paracetaldehyde 
• 33861-10-8 1,1,3,3-tetra-p-tolyl-but-1-ene 
• 71-43-2 benzene 
• 76-03-9 trichloroacetic acid 
• 74-85-1 ethene 
• 106-38-7 para-bromotoluene 
• 3490-61-7 3,3-Di-p-tolyl-butan-2-one 
• 4324-37-2 2-methoxypropionic acid 
• 21957-58-4 N-(p-toluenesulfonyl)-DL-alanine 

Downstream Products

• 622-97-9 1-ethenyl-4-methylbenzene 
• 18869-29-9 (E)-4,4'-dimethylstilbene 
• 611-97-2 bis(p-methylphenyl)-methanone 
• 35776-96-6 4-(4'-methylbenzoyl)benzoic acid 
• 877-11-2 pentachlorotoluene 
• 101081-87-2 1,1-bis-(2,3,5,6-tetrachloro-4-methyl-phenyl)-ethane 
• 622-96-8 4-methylethylbenzene 
• 93189-70-9 1,1-bis-(4-methyl-cyclohexyl)-ethane 
• 97498-75-4 4,4'-(2-nitroethene-1,1-diyl)bis(methylbenzene) 
• 109309-32-2 2,2-di-p-tolyl-butane 
• 132594-92-4 1,2-dichloro-1,1-di-p-tolyl-ethane 
• 827598-65-2 1,2,2-trichloro-1,1-di-p-tolyl-ethane 
• 554-14-3 2-Methylthiophene 
• 67997-45-9 (4,4',α-Trimethyldiphenylmethyl)lithium 

Relevant articles and documents

Organic pollutants in paper-recycling process water discharge areas: First detection and emission in aquatic environment

In this study, eight compounds have been identified and quantified from the samples collected from paper-recycling process water discharge areas. In particular, five aryl hydrocarbons, including a novel chlorinated aryl ether, were identified for the first time as environmental pollutants. In the effluent stream, concentration levels of up to 1600 μg L-1 and 190 μg g-1 were detected in the surface water and surface sediment, respectively. The results of this study have raised concerns regarding the organic chemicals used in thermal paper and the environmental consequences of their release.

Cyclohexa-1,3-diene-based dihydrogen and hydrosilane surrogates in B(C6F5)3-catalysed transfer processes

The cyclohexa-1,3-diene motif is introduced as an equally effective alternative to the cyclohexa-1,4-diene platform in B(C6F5)3-catalysed transfer processes. The transfer hydrogenation of alkenes is realised with α-terpinene and the related transfer hydrosilylation is achieved with 5-trimethylsilyl-substituted cyclohexa-1,3-diene. Both yields and substrate scope are comparable with the prior systems.

B(C6F5)3-Catalyzed Transfer of Dihydrogen from One Unsaturated Hydrocarbon to Another

A transition-metal-free transfer hydrogenation of 1,1-disubstituted alkenes with cyclohexa-1,4-dienes as the formal source of dihydrogen is reported. The process is initiated by B(C6F5)3-mediated hydride abstraction from the dihydrogen surrogate, forming a Bronsted acidic Wheland complex and [HB(C6F5)3]-. A sequence of proton and hydride transfers onto the alkene substrate then yields the alkane. Although several carbenium ion intermediates are involved, competing reaction channels, such as dihydrogen release and cationic dimerization of reactants, are largely suppressed by the use of a cyclohexa-1,4-diene with methyl groups at the C1 and C5 as well as at the C3 position, the site of hydride abstraction. The alkene concentration is another crucial factor. The various reaction pathways were computationally analyzed, leading to a mechanistic picture that is in full agreement with the experimental observations.