A4995212
Isobutylbenzene , 99% , 538-93-2
Synonym(s):
2-Methyl-1-phenylpropane
CAS NO.:538-93-2
Empirical Formula: C10H14
Molecular Weight: 134.22
MDL number: MFCD00008936
EINECS: 208-706-2
Update time: 2022-07-08
PRODUCT 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 | n |
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) |
NIST Chemistry Reference | Benzene, (2-methylpropyl)-(538-93-2) |
EPA Substance Registry System | Isobutylbenzene (538-93-2) |
Description and Uses
Isobutylbenzene 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.
Safety
Symbol(GHS) | GHS02,GHS07 |
Signal word | Warning |
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 |