7397-06-0

Basic information

• Product Name: 4-TERT-BUTYL-O-XYLENE
• Synonyms: 1,2-dimethyl-4-(tert-butyl)-benzene;1,2-Dimethyl-4-tert-Butylbenzene;1-tert-Butyl-3,4-dimethylbenzene;3,4-Dimethyl-tert-butylbenzene;4-(1,1-dimethylethyl)-1,2-dimethyl-benzen;Benzene, 1,2-dimethyl-4-(1,1-dimethylethyl);Benzene, 4-(1,1-dimethylethyl)-1,2-dimethyl-;o-Xylene, 4-tert-butyl-
• CAS NO: 7397-06-0
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.27
• EINECS: -0
• Product Categories: Industrial/Fine Chemicals;Arenes;Building Blocks;Organic Building Blocks
• Mol File: 7397-06-0.mol

Chemical Properties

• Melting Point: -25.43°C (estimate)
• Boiling Point: 200-210 °C(lit.)
• Flash Point: 180 °F
• Appearance: clear colorless liquid
• Density: 0.871 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.207mmHg at 25°C
• Refractive Index: n20/D 1.498(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1925371
• CAS DataBase Reference: 4-TERT-BUTYL-O-XYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-O-XYLENE(7397-06-0)
• EPA Substance Registry System: 4-TERT-BUTYL-O-XYLENE(7397-06-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 7397-06-0(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

InChI:InChI=1/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3

Upstream product

• 107-39-1 2,4,4-trimethyl-1-pentene 
• 95-47-6 o-xylene 
• 507-20-0 tertiary butyl chloride 
• 23203-13-6 1-methyl-2-chloromethyl-4-(1,1-dimethylethyl)benzene 
• 115-11-7 isobutene 
• 75-65-0 tert-butyl alcohol 
• 106-98-9 1-butylene 
• 590-18-1 (Z)-2-Butene 
• 594-11-6 methylcyclopropane 
• 287-23-0 cyclobutane 
• 130652-57-2 2,8-di-tert-butyl-4,6-bis(chloromethyl)-10,11-dihydro-5H-dibenzocycloheptene 
• 6390-69-8 3,3',5,5'-tetra(tert-butyl)biphenyl-2,2'-diol 
• 22385-96-2 5,5'-di-tert-butyl-2,2'-dihydroxybiphenyl 
• 16195-58-7 4-isopropenyl-1,2,4-trimethyl-cyclohexene 

Downstream Products

• 108837-99-6 5-tert-butyl-1-isopropyl-2,3-dimethyl-benzene 
• 132543-19-2 1-sec-butyl-5-tert-butyl-2,3-dimethyl-benzene 
• 32703-79-0 4-tert-butylphthalic anhydride 
• 28162-13-2 5-tert-butyl-2,3-dimethylbenzyl chloride 
• 33691-85-9 4-(tert-butyl)-2-methylbenzoic acid 
• 14236-13-6 4-(tert-butyl)phthalic acid 
• 100325-69-7 5-tert-butyl-1-cyclopentyl-2,3-dimethyl-benzene 
• 65276-24-6 5,5'-Di-tert.-butyl-2,2',3,3'-tetramethyl-diphenylmethan 
• 23504-05-4 2,3-dimethyl-5-t-butylphenol 
• 5122-21-4 5-tert-butyl-2,3-dimethyl iodobenzene 
• 66949-23-3 2-methyl-5-tert-butylbenzaldehyde 
• 54108-84-8 5-tert-butyl-2,3-dimethyl-1-nitrobenzene 
• 66949-20-0 3-Nitro-5-tert-butyl-o-xylol 
• 1445-23-4 2-(1,1-dimethylethyl)-4,5-dimethylphenol 

Relevant articles and documents

Preparation method of 4 -tert-butyl phthalonitrile (by machine translation)

The invention discloses a preparation method of 4 -tert-butylphthalonitrile, and belongs to the technical field of organic synthesis. To the technical scheme, o-xylene and chlorobutane are reacted under the action of catalyst iodine to obtain 4 -tert-butylphthalyl chloride; 4 -tert-butyl phthalic acid is reacted with ammonia solution to obtain 4 -tert-butylphthalamide; 4 -tert-butylphthalamide and dehydrating agent are subjected to dehydration reaction to obtain 4 - 4 - 4 -tert-butylphthalonitrile; and the tert-butylphthalonitrile is obtained through dehydration 4 - 4 . The method has the advantages of mild reaction conditions, high yield, low cost and suitability for industrial production, and is a synthetic method with industrial production value. (by machine translation)

An improved synthesis, characterization, and X-ray studies of 5-tert-butyl-3-nitrophthalonitrile

An improved six-step synthesis of 5-tert-butyl-3-nitrophthalonitrile (1) is described. The title compound and all the intermediates are fully characterized spectroscopically (FT-IR, 1H NMR, 13C NMR, MS). In addition, single-crystal X

The synthetic potential of graphite-catalyzed alkylation

Unmodified graphite is introduced as a mild catalyst for alkylation of aromatic compounds and primary alcohols, applicable when utilization of strong Lewis acids is not feasible. The electrophilic intermediate has a significant carbocationic character and can be formed on a partially rate-limiting step.

Perfluorinated sulfonic acid resin (Nafion-H) catalysed trans-t-butylation of 7-t-butyl-1,3-disubstituted pyrenes; a new route for the preparation of 1,3-disubstituted pyrenes

The perfluorinated sulfonic acid resin (Nafion-H) catalyst is found to be effective in promoting the trans-t-butylation of 7-t-butyl-1,3-dialkylpyrenes to afford the corresponding 1,3-dialkylpyrenes in good yields.

Alkylation on graphite in the absence of Lewis acids

Graphite is introduced as a convenient catalyst for alkylation of aromatic compounds and alcohols by benzyl, tertiary alkyl, and secondary alkyl halides in the absence of strong Lewis acids. Primary alkyl halides are not active under the reaction conditions.

Poly(5-tert-butyl)benzothiophene: A soluble form of polyisothianaphthene with a large nonlinear optical response

A soluble form of polybenzothiophene has been produced and chemically characterised. NMR spectroscopy indicates that there is a large quinoidal character contribution to the ground state of the polymer. The third order nonlinear optical properties of the

Selective alkylation of xylenes by alcohols on zeolite catalysts

The peculiarities of catalytic performance of crystalline aluminosilicates of different types and compositions (X, Y including dealuminated Y′, mordenite, pentasil ZSM-5), as well as of amorphous aluminosilicate catalyst in conversion of xylene + alcohol mixtures were studied. New data were obtained for alkylation of o-xylene with tert-butyl alcohol, concerning controlling the selectivity and stability of the zeolite catalysts in reactions proceeding with the participation of water, including the water evolved during the reaction, in particular by controlling the acidic properties and hydrophobycity of the zeolites. A catalyst ensuring production of 1,2-dimethyl-4-tert-butylbenzene (DMTBB) with a 94% yield and selectivity of alcohol conversion to the target product of 94-97% was developed. The catalyst can be used as the basis for a high-performance and environmentally safe method for the synthesis of DMTBB. The catalysts developed can be also used for selective alkylation of o-xylene by C3-C5 alcohols and for alkylation of m-xylene by tert-butyl alcohol.

Aromatic compounds and their use in perfumery

The compounds of formula STR1 wherein symbol X represents a --CHO group or an acetal group of formula STR2 symbols R', taken separately, represent each a C1 to C4, linear or branched, saturated or unsaturated, hydrocarbon radical or, taken together, represent a C1 to C4 alkylene radical, which may be substituted, and symbol R represents a hydrogen atom or a methyl radical, are useful as perfuming ingredients for the preparation of perfuming compositions and perfumed articles, to which they impart floral type notes.

REACTION OF AROMATIC HYDROCARBONS WITH 2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)ETHYL ACETATE AT HETEROPOLY ACIDS

When 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl acetate is heated with aromatic hydrocarbons at the solid heteropoly acid (H3PW12O4/SiO2), the following three types of reactions take place simultaneously: de-tert-butylation and condensation of the phenols with the formation of 1,2-diarylethanes and tert-butylation of the aromatic hydrocarbons.