Skip to Content
Merck
All Photos(1)

Documents

113166

Sigma-Aldrich

Isobutylbenzene

99%

Synonym(s):

2-Methyl-1-phenylpropane

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5CH2CH(CH3)2
CAS Number:
538-93-2
Molecular Weight:
134.22
Beilstein:
1852218
EC Number:
208-706-2
MDL number:
MFCD00008936
UNSPSC Code:
12352100
PubChem Substance ID:
24847136
NACRES:
NA.22

vapor pressure

4.2 mmHg ( 37.7 °C)

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.)

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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

Pictograms

FlameEnvironment
GHS02,GHS09

Signal Word

Warning

Hazard Statements

H226,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

118.6 °F - closed cup

Flash Point(C)

48.1 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

Slide 1 of 2

1 of 2

Propylbenzene 98%

Sigma-Aldrich

P52407

Propylbenzene

2-Methyl-1-pentanol 99%

Sigma-Aldrich

214019

2-Methyl-1-pentanol

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
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service