Skip to Content
Merck
All Photos(3)

Key Documents

P52407

Sigma-Aldrich

Propylbenzene

98%

Synonym(s):

Isocumene, 1-Phenylpropane

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
C6H5CH2CH2CH3
CAS Number:
Molecular Weight:
120.19
Beilstein:
1903006
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

4.14 (vs air)

vapor pressure

2 mmHg ( 20 °C)

Assay

98%

autoignition temp.

842 °F

expl. lim.

6 %

refractive index

n20/D 1.491 (lit.)

bp

159 °C (lit.)

mp

−99 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

SMILES string

CCCc1ccccc1

InChI

1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChI key

ODLMAHJVESYWTB-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

  • Propylbenzene is a component of jet-A kerosene fuel and used in combustion studies.
  • In organic synthesis, it can be used as a solvent and also as a precursor to synthesize intermediates such as 4-phenylbutyraldehyde and ethyl phenyl ketone.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

107.6 °F - closed cup

Flash Point(C)

42.0 °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

Thermal, Catalytic Conversion of Alkanes to Linear Aldehydes and Linear Amines.
Tang X, et al.
Journal of the American Chemical Society, 140(11), 4157-4163 (2018)
Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu (hfac) 2?Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly.
Romanenko G V, et al.
Inorganic Chemistry, 50(14), 6597-6609 (2011)
Crystal structure of meso?substituted pyrazolyl porphyrin complexes and their highly active catalyst for oxidation of alkylbenzenes.
Yao Y, et al.
Applied Organometallic Chemistry, 32(3), e4184-e4184 (2018)
Experimental Investigation of Laminar Flame Speed Measurement for Kerosene Fuels: Jet A-1, Surrogate Fuel, and Its Pure Components.
Wu Y, et al.
Energy and Fuels, 32(2), 2332-2343 (2018)
A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene.
Darcy D, et al.
Combustion and Flame, 159(7), 2219-2232 (2012)

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