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95682

Sigma-Aldrich

p-Xylene

puriss. p.a., ≥99.0% (GC)

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Synonym(s):
1,4-Dimethylbenzene
Linear Formula:
C6H4(CH3)2
CAS Number:
106-42-3
Molecular Weight:
106.17
Beilstein:
1901563
EC Number:
203-396-5
MDL number:
MFCD00008556
UNSPSC Code:
12352005
PubChem Substance ID:
329770480

vapor density

3.7 (vs air)

Quality Level

200

vapor pressure

9 mmHg ( 20 °C)

grade

puriss. p.a.

Assay

≥99.0% (GC)

form

liquid

autoignition temp.

984 °F

expl. lim.

7 %

impurities

≤0.5% o- and m-xylene (GC)
≤0.5% toluene (GC)

evapn. residue

≤0.002%

refractive index

n20/D 1.495 (lit.)
n20/D 1.495

bp

138 °C (lit.)

mp

12-13 °C (lit.)

solubility

water: soluble 0.2 g/L

density

0.861 g/mL at 20 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

Cc1ccc(C)cc1

InChI

1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3

InChI key

URLKBWYHVLBVBO-UHFFFAOYSA-N

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General description

p-Xylene is an isomeric form of xylene. It undergoes Friedel-Crafts acylation reaction with various acids in the presence of zeolites (catalyst). It can be obtained from the mixtures of isomeric forms of xylene and ethylbenzene, isolated from the naptha fraction of petroleum. Also, it can be prepared from toluene by employing ZSM (Zeolite Socony Mobil)-5 catalysts. It is a raw material for the manufacture of PET (poly(ethylene terephthalate)) bottles. Sustainable synthesis of xylene from ethylene and dimethylfuran in the presence of zeolite catalysts has been reported.

Application

p-Xylene may be used in the synthesis of poly-p-xylene and terephthalic acid.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 2

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Ultra-selective cycloaddition of dimethylfuran for renewable p-xylene with H-BEA.
Chang CC, et al.
Green Chemistry, 16(2), 585-588 (2014)
Cycloaddition of biomass-derived furans for catalytic production of renewable p-xylene.
Williams CL, et al.
ACS Catalysis, 2(6), 935-939 (2012)
Friedel-Crafts acylation of toluene and p-xylene with carboxylic acids catalyzed by zeolites.
Chiche B, et al.
The Journal of Organic Chemistry, 51(11), 2128-2130 (1986)
Metal-organic framework MIL-101 for high-resolution gas-chromatographic separation of xylene isomers and ethylbenzene.
Zhi-Yuan Gu et al.
Angewandte Chemie (International ed. in English), 49(8), 1477-1480 (2010-01-22)
Sergio Grunder et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(49), 15632-15649 (2012-10-24)
Molecular gauge blocks, based on 1-7, 9-11 paraxylene rings, have been synthesized as part of a homologous series of oligoparaxylenes (OPXs) with a view to providing a molecular tool box for the construction of nano architectures-such as spheres, cages, capsules
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