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Key Documents

82119

Sigma-Aldrich

Propylbenzene

≥99.0% (GC)

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:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

4.14 (vs air)

Quality Level

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

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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Signal Word

Danger

Hazard Statements

Precautionary 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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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
S L Cruz et al.
British journal of pharmacology, 131(7), 1303-1308 (2000-11-23)
1. We have previously shown that toluene dose-dependently inhibits recombinant N-methyl-D-aspartate (NMDA) receptors at micromolar concentrations. This inhibition was rapid, almost complete and reversible. The NR1/2B combination was the most sensitive receptor subtype tested with an IC(50) value for toluene
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
Q S Li et al.
FEBS letters, 508(2), 249-252 (2001-11-24)
We report here oxidation of propylbenzene and 3-chlorostyrene by wild-type cytochrome P450 BM-3 with high turnover (479 nmol 1-phenyl-1-propanol/min/nmol P450 and 300 nmol 3-chlorostyrene oxide/min/nmol P450). Furthermore, the residue size at position 87 of P450 BM-3 was found to play
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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