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Isobutylbenzene

Isobutylbenzene structure

CAS No:
538-93-2
Formula:
C10H14
Chemical Name:
Isobutylbenzene
Synonyms:
Benzene,(2-methylpropyl)-;Benzene,isobutyl-;(2-Methylpropyl)benzene;Isobutylbenzene;2-Methyl-1-phenylpropane;iso-Butylbenzene;NSC 24848;i-Butylbenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS LIQUID

Isobutylbenzene Basic Attributes

Molecular Weight：

134.22

Exact Mass：

134.22

BRN：

1852218

EC Number：

208-706-2

HScode：

29029000

Characteristics

PSA：

XLogP3：

4.09

Appearance：

Liquid

Density：

0.8540 g/cm³ @ Temp: 20 °C

Melting Point：

-51.4 °C

Boiling Point：

172.7 °C

Flash Point：

131 °F

Refractive Index：

1.490

Water Solubility：

H2O: INsoluble

Storage Conditions：

Flammables area

Vapor Pressure：

4.2 mm Hg ( 37.7 °C)

Toxicity：

Oral-rat LDL0: 5000 mg/kg

Flammability characteristics：

Flammable; spicy and irritating smoke is emitted from the fire

Explosive limit：

0.8-6%(V)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-36/37/38-50/53

safety instructions：

26-36-61-60

RTECS Number：

DA3550000

Marks：

Xi,N

Storage features：

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Explosive characteristics：

Its vapor and air can be explosive

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

Toxicity

Toxicity class：

practically nontoxic

Isobutylbenzene Use and Manufacturing

Methods of Manufacturing

It is obtained from toluene and propylene as raw materials by side chain alkylation in the presence of an alkali metal catalyst. Using potassium metal as a catalyst, the amount of potassium used per mole of toluene is 0.02g moles (K/Na2CO3=4:1). The reaction temperature is 190-205°C, the pressure is 2.94MPa, the reaction time is 1.5-2.0h, and the ratio of propylene to toluene is 1:1. This method has good orientation, high yield, single product and simple processing technology. The pure product is obtained after rectification. The toluene conversion rate is 54.53%, the isobutylbenzene selectivity is 89.6%, and the isobutylbenzene yield is 48.88%.

Uses

Used in organic synthesis. It is the raw material for the production of the analgesic and antipyretic drug ibuprofen intermediate (isobutylacetophenone). It is also used to produce coatings, plasticizers and surfactants. Can also be used as a solvent.

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CAS No.: 538-93-2

Grade: Industrial Grade

Content: 99%

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