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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.)
Flash point 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 limit 0.8-6%(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 constant 2.3(Ambient)
InChIKey KXUHSQYYJYAXGZ-UHFFFAOYSA-N
LogP 4.8 at 23℃ and pH6
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

Symbol(GHS)
Signal wordWarning
Hazard statements H226-H315
Precautionary statements P210-P302+P352
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

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