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82118

Propylbenzene

analytical standard

Synonym(s):

1-Phenylpropane

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About This Item

Linear Formula:
C6H5CH2CH2CH3
CAS Number:
103-65-1
Molecular Weight:
120.19
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329769237
EC Number:
203-132-9
Beilstein/REAXYS Number:
1903006
MDL number:
MFCD00009377
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grade

analytical standard

Quality Level

100

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

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.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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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)

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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
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