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Merck

P52407

Propylbenzene

98%

Synonym(s):

Isocumene, 1-Phenylpropane

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About This Item

Linear Formula:
C6H5CH2CH2CH3
CAS Number:
103-65-1
Molecular Weight:
120.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24898610
EC Number:
203-132-9
Beilstein/REAXYS Number:
1903006
MDL number:
MFCD00009377

Key Documents

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Product Name

Propylbenzene, 98%

InChI key

ODLMAHJVESYWTB-UHFFFAOYSA-N

InChI

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

SMILES string

CCCc1ccccc1

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.)

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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.

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

107.6 °F - closed cup

flash_point_c

42.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ2931
MKCN1126
MKCM4174
MKCL4892
MKCL4887

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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)
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)
Dielectric study of concentration fluctuation in solutions of polystyrene.
Yoshizaki K, et al.
Macromolecules, 36(7), 2349-2354 (2003)
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)
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)
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