113166
Isobutylbenzene
99%
Synonym(s):
2-Methyl-1-phenylpropane
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About This Item
Linear Formula:
C6H5CH2CH(CH3)2
CAS Number:
Molecular Weight:
134.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-706-2
Beilstein/REAXYS Number:
1852218
MDL number:
Assay:
99%
vapor pressure
4.2 mmHg ( 37.7 °C)
Quality Level
assay
99%
autoignition temp.
802 °F
refractive index
n20/D 1.486 (lit.)
bp
170 °C/736 mmHg (lit.)
mp
−51 °C (lit.)
density
0.853 g/mL at 25 °C (lit.)
functional group
phenyl
SMILES string
CC(C)Cc1ccccc1
InChI
1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI key
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
General description
Isobutylbenzene is synthesized by the isopropylation at the side chain over Na, K and Cs exchanged zeolites.
Application
Isobutylbenzene is used as an internal standard in the study of increased pigmentation and floral scent levels in Pap1-transgenic petunia.
Packaging
Packaged in glass bottles
signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
118.6 °F - closed cup
flash_point_c
48.1 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Nanzhe Jiang et al.
Journal of nanoscience and nanotechnology, 10(1), 227-232 (2010-04-01)
Side chain alkylation of toluene with methanol was studied over mesoporous zeolite supported MgO catalysts. MgO were supported onto the carbon templated mesoporous silicalite-1 by direct synthesis route under microwave conditions. This direct synthesis route yields the majority of MgO
Michal Moyal Ben Zvi et al.
Plant biotechnology journal, 6(4), 403-415 (2008-03-19)
The phenylpropanoid pathway gives rise to metabolites that determine floral colour and fragrance. These metabolites are one of the main means used by plants to attract pollinators, thereby ensuring plant survival. A lack of knowledge about factors regulating scent production
Alan P Graves et al.
Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 113166-500ML | 04061837703676 |
| 113166-100ML | 04061838700810 |