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Key Documents

Safety Information

P52407

Sigma-Aldrich

Propylbenzene

98%

Synonym(s):

Isocumene, 1-Phenylpropane

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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

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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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

P52407-BULK:
P52407-25ML:
P52407-500ML:
P52407-VAR:
P52407-100ML:


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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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