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Isobutylbenzene

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CAS:538-93-2
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Isobutylbenzene manufacturers

  • Isobutylbenzene
  • Isobutylbenzene pictures
  • $1.50 / 1g
  • 2023-07-27
  • CAS:538-93-2
  • Min. Order: 1g
  • Purity: 99.0% Min
  • Supply Ability: 100 Tons
  • Isobutylbenzene
  • Isobutylbenzene pictures
  • $1.50 / 1g
  • 2023-07-27
  • CAS:538-93-2
  • Min. Order: 1g
  • Purity: 99.0% Min
  • Supply Ability: 100 Tons
  • Isobutylbenzene
  • Isobutylbenzene pictures
  • $0.00 / 25KG
  • 2023-06-27
  • CAS:538-93-2
  • Min. Order: 1KG
  • Purity: 99%
  • Supply Ability: 50000KG/month
Isobutylbenzene Basic information
Product Name:Isobutylbenzene
Synonyms:(2-methylpropyl)-Benzene;1-Phenyl-2-methylpropane;2-Methylpropylbenzene;Benzene, isobutyl-;ISOBUTYL BENZENE pure;2-Benzylpropane;Isobutylbenzene, 99.5%;Isobutylbenzene, 99.5% 100ML
CAS:538-93-2
MF:C10H14
MW:134.22
EINECS:208-706-2
Product Categories:K00001
Mol File:538-93-2.mol
Isobutylbenzene Structure
Isobutylbenzene Chemical Properties
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.)
Fp 131 °F
storage temp. Flammables area
solubility Insoluble in water, soluble in ethanol, ether, benzene and acetone.
pka>14 (Schwarzenbach et al., 1993)
color Colorless to Almost colorless
explosive limit0.8-6%(V)
Water Solubility 0.01g/l
Merck 14,5134
BRN 1852218
Henry's Law Constant(x 10-2 atm?m3/mol): 1.09 at 25 °C (Hine and Mookerjee, 1975)
Dielectric constant2.3(Ambient)
InChIKeyKXUHSQYYJYAXGZ-UHFFFAOYSA-N
LogP4.8 at 23℃ and pH6
CAS DataBase Reference538-93-2(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, (2-methylpropyl)-(538-93-2)
EPA Substance Registry SystemIsobutylbenzene (538-93-2)
Safety Information
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 Temperature802 °F
HazardClass 3
PackingGroup III
HS Code 29029000
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Isobutylbenzene Usage And Synthesis
Chemical PropertiesIsobutyl Benzene is an organic, aromatic, neutral and colourless liquid that has a specific gravity of around 0.852. Less dense than water and insoluble in water, soluble in ethanol, ether, benzene and acetone. Vapors heavier than air.
Physical propertiesClear, 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)
UsesIsobutylbenzene is used as an intermediate for perfumery and analgesic anti-inflammatory (Ibuprofen). It is also used as an internal standard in the study of increased pigmentation and floral scent levels in Pap1-transgenic petunia.
DefinitionChEBI: Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent.
PreparationIsobutylbenzene synthesis: Isobutyrophenone, underwent a Wolff–Kishner reduction using hydrazine hydrate and strong base conditions to synthesize isobutyl benzene. The solvent for this reaction was replaced with the more sustainable solvent glycerol. The glycerol for this reaction was obtained from the synthesis of biodiesel. The reaction was allowed to heat at reflux (149–155 °C) for a period of three hours. An average 51 % yield of isobutyl benzene was obtained from the solar synthesis, compared to a 55 % yield from an in-lab, electrical heating analysis.
synthesis of Isobutylbenzene
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
General DescriptionIsobutylbenzene is synthesized by the isopropylation at the side chain over Na, K and Cs exchanged zeolites.
HazardModerate fire risk. Toxic in high concentration, a skin and eye irritant.
Environmental fateBiological. 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.
Tag:Isobutylbenzene(538-93-2) Related Product Information
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