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Isobutylbenzene

Isobutylbenzene Structure
Isobutylbenzene
  • CAS No.538-93-2
  • Chemical Name:Isobutylbenzene
  • CBNumber:CB0328155
  • Molecular Formula:C10H14
  • Formula Weight:134.22
  • MOL File:538-93-2.mol
Isobutylbenzene Property
  • Melting point: :-51 °C (lit.)
  • Boiling point: :170 °C/736 mmHg (lit.)
  • Density  :0.853 g/mL at 25 °C (lit.)
  • vapor pressure  :4.2 mm Hg ( 37.7 °C)
  • refractive index  :n20/D 1.486(lit.)
  • Flash point: :131 °F
  • storage temp.  :Flammables area
  • solubility  :0.01g/l
  • form  :neat
  • pka :>14 (Schwarzenbach et al., 1993)
  • explosive limit :0.8-6%(V)
  • Water Solubility  :INSOLUBLE
  • Merck  :14,5134
  • BRN  :1852218
  • Henry's Law Constant :(x 10-2 atm?m3/mol): 1.09 at 25 °C (Hine and Mookerjee, 1975)
  • InChIKey :KXUHSQYYJYAXGZ-UHFFFAOYSA-N
  • CAS DataBase Reference :538-93-2(CAS DataBase Reference)
  • EWG's Food Scores :1
  • FDA UNII :FI94T26KGB
  • NIST Chemistry Reference :Benzene, (2-methylpropyl)-(538-93-2)
  • EPA Substance Registry System :Isobutylbenzene (538-93-2)
Safety
  • Hazard Codes  :Xi,N
  • Risk Statements  :10-36/37/38-50/53
  • Safety Statements  :26-36-61-60
  • RIDADR  :UN 3295 3/PG 3
  • WGK Germany  :3
  • RTECS  :DA3550000
  • Autoignition Temperature :802 °F
  • HazardClass  :3
  • PackingGroup  :III
  • HS Code  :29029000
  • NFPA 704:
    2
    0
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordWarning
  • Hazard statements H319-H336-H226-H315
  • Precautionary statements P233-P240-P241+P242+P243-P261-P264-P271-P280-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501-P210-P370+P378
Isobutylbenzene Price More Price(5)
  • Brand: Sigma-Aldrich
  • Product number: 113166
  • Product name : Isobutylbenzene
  • Purity: 99%
  • Packaging: 100ml
  • Price: $53.4
  • Updated: 2021/03/22
  • Buy: Buy
  • Brand: Sigma-Aldrich
  • Product number: 113166
  • Product name : Isobutylbenzene
  • Purity: 99%
  • Packaging: 500ml
  • Price: $217
  • Updated: 2021/03/22
  • Buy: Buy
  • Brand: TCI Chemical
  • Product number: I0097
  • Product name : Isobutylbenzene
  • Purity: >99.0%(GC)
  • Packaging: 25mL
  • Price: $24
  • Updated: 2021/03/22
  • Buy: Buy
  • Brand: TCI Chemical
  • Product number: I0097
  • Product name : Isobutylbenzene
  • Purity: >99.0%(GC)
  • Packaging: 500mL
  • Price: $118
  • Updated: 2021/03/22
  • Buy: Buy
  • Brand: Sigma-Aldrich
  • Product number: 58498
  • Product name : Isobutylbenzene
  • Purity: analytical standard
  • Packaging: 1ml-f
  • Price: $49.3
  • Updated: 2020/08/18
  • Buy: Buy

Isobutylbenzene Chemical Properties,Usage,Production

  • Chemical Properties CLEAR COLOURLESS LIQUID
  • Physical properties Clear, colorless, liquid with an odor resembling butylbenzene, tert-butylbenzene, ethylbenzene, or toluene. An odor threshold concentration of 80 μg/kg was reported (quoted, Verschueren, 1983)
  • Uses Intermediate for perfumery and analgesic anti-inflammatory (Ibuprofen).
  • Synthesis Reference(s) Journal of the American Chemical Society, 73, p. 4343, 1951 DOI: 10.1021/ja01153a092
    Synthetic Communications, 26, p. 763, 1996 DOI: 10.1080/00397919608086751
    Tetrahedron Letters, 27, p. 6369, 1986 DOI: 10.1016/S0040-4039(00)87811-9
  • Hazard Moderate fire risk. Toxic in high concentration, a skin and eye irritant.
  • Environmental Fate Biological. Oxidation of isobutylbenzene by Pseudomonas desmolytica S44B1 and Pseudomonas convexa S107B1 yielded 3-isobutylcatechol and (+)-2-hydroxy-8-methyl-6-oxononanoic acid (Jigami et al., 1975).
    Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. Isobutylbenzene will not hydrolyze because it has no hydrolyzable functional group.
Isobutylbenzene Preparation Products And Raw materials
Raw materials
Preparation Products
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