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Supelco

Propylbenzene

analytical standard

Synonym(s):

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:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

4.14 (vs air)

vapor pressure

2 mmHg ( 20 °C)

Assay

≥99.0% (GC)

autoignition temp.

842 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.491 (lit.)
n20/D 1.492

bp

159 °C (lit.)

mp

−99 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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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General description

Propylbenzene belongs to the class of aromatic hydrocarbons, commonly used as a solvent in organic synthesis and precursor to synthesize intermediates such as 4-phenylbutyraldehyde and ethyl phenyl ketone.

Application

Propylbenzene may be used as an internal standard for the quantification of the vanillin in fruits and as an analytical reference standard for the quantification of the analyte in eluates of pyrolysis solid residues using different chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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

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Certificates of Analysis (COA)

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Determination of aromatic compounds in eluates of pyrolysis solid residues using HS-GC-MS and DLLME-GC-MS
Bernardo.SM, et al.
Talanta, 80(1), 104-108 (2009)
Determination of vanillin in orange, grapefruit, tangerine, lemon, and lime juices using GC- olfactometry and GC- MS/MS
Goodner.LK, et al.
Journal of Agricultural and Food Chemistry, 48(7), 2882-2886 (2000)
Sara Eriksson et al.
Biodegradation, 16(3), 253-263 (2005-05-04)
The metabolism of monoaromatic hydrocarbons by an iron-reducing bacterial enrichment culture originating from diesel-contaminated groundwater was examined using d7-propylbenzene as a model hydrocarbon. Sequence analysis of the 16S rDNA gene showed that the dominant part (10 of 10 clones) of
R Andrew Shalliker et al.
Journal of chromatography. A, 1216(5), 787-793 (2008-12-20)
The effect of solvent viscosity mismatch on elution performance in reversed-phase HPLC was studied using moment analysis. Two conditions were tested: (1) the mobile phase viscosity was less than the injection plug viscosity, and (2) the mobile phase viscosity was
Matthew Giardina et al.
Analytical chemistry, 75(7), 1604-1614 (2003-04-23)
With increasing interest in the detection of disease-related volatile organic compounds (VOCs) found in human breath, breath analysis could prove to be a very useful diagnostic tool, especially for the early detection of lung cancer. Solid-phase microextraction (SPME) is a

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