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Merck
CN

82119

Propylbenzene

≥99.0% (GC)

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:
12352100
NACRES:
NA.22
PubChem Substance ID:
57652905
EC Number:
203-132-9
Beilstein/REAXYS Number:
1903006
MDL number:
MFCD00009377

Key Documents

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Product Name

Propylbenzene, ≥99.0% (GC)

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

≥99.0% (GC)

form

liquid

autoignition temp.

842 °F

expl. lim.

6 %

refractive index

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

bp

159 °C (lit.)

mp

−99 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

functional group

phenyl

Quality Level

100

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Related Categories

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN2614
BCCK2728
BCCH5974
BCCJ7274
BCCC4432

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J Schuberth
Journal of chromatographic science, 34(7), 314-319 (1996-07-01)
The full evaporation technique (FET), which is a variant of headspace analysis used to overcome matrix effects, was combined with capillary gas chromatography (GC) and ion-trap detection (ITD). The aim was to enable quantitative tests of volatile organic compounds (VOCs)
M J Huertas et al.
Applied and environmental microbiology, 64(1), 38-42 (1998-01-22)
We assayed the tolerance to solvents of three toluene-degrading Pseudomonas putida strains and Pseudomonas mendocina KR1 in liquid and soil systems. P. putida DOT-T1 tolerated concentrations of heptane, propylbenzene, octanol, and toluene of at least 10% (vol/vol), while P. putida
W L Backes et al.
Xenobiotica; the fate of foreign compounds in biological systems, 23(12), 1353-1366 (1993-12-01)
1. Treatment of male rat with the small aromatic hydrocarbons, benzene, toluene, ethylbenzene, n-propylbenzene, m-xylene, and p-xylene increased several P450-dependent activities, with ethylbenzene, m-xylene, and n-propylbenzene producing the greatest response. Hydrocarbon treatment differentially affected toluene metabolism, producing a response dependent
Christopher J C Whitehouse et al.
Dalton transactions (Cambridge, England : 2003), 40(40), 10383-10396 (2011-05-24)
The substrate-free crystal structure of a five-mutation directed evolution variant of CYP102A1 (P450(BM3)) with generic activity-enhancing properties ("KT2") has been determined to 1.9-Å resolution. There is a close resemblance to substrate-bound structures of the wild-type enzyme (WT). The disruption of
Christopher J C Whitehouse et al.
Chemical communications (Cambridge, England), (8)(8), 966-968 (2008-02-20)
The evolution of CYP102A1 variants with enhanced activity and altered specificity characteristics.
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