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82119

Sigma-Aldrich

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

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.)

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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Related Categories

Signal Word

Danger

Hazard Statements

H226,H304,H335,H411

Precautionary Statements

P210 - P273 - P301 + P310 + P331

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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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.
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
Y Jigami et al.
Applied and environmental microbiology, 38(5), 783-788 (1979-11-01)
Pseudomonas desmolytica S449B1 and Pseudomonas convexa S107B1 grown on n-propylbenzene oxidized n-propylbenzene to beta-phenylpropionic acid and benzoic acid by initial oxidation of the n-propyl side chain and the following beta-oxidation, respectively. The same strains also oxidized n-propylbenzene to 3-n-propylcatechol by
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
R Rabus et al.
Archives of microbiology, 163(2), 96-103 (1995-02-01)
Anaerobic degradation of alkylbenzenes with side chains longer than that of toluene was studied in freshwater mud samples in the presence of nitrate. Two new denitrifying strains, EbN1 and PbN1, were isolated on ethylbenzene and n-propylbenzene, respectively. For comparison, two
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