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296333

Sigma-Aldrich

p-Xylene

anhydrous, ≥99%

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Synonym(s):
1,4-Dimethylbenzene
Linear Formula:
C6H4(CH3)2
CAS Number:
Molecular Weight:
106.17
Beilstein/REAXYS Number:
1901563
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.21

grade

anhydrous

Quality Level

vapor density

3.7 (vs air)

vapor pressure

9 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

984 °F

expl. lim.

7 %

impurities

<0.002% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0003%

refractive index

n20/D 1.495 (lit.)

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.)

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 isomer xylene mainly used in the polyester industry as a raw material for synthesizing 5,6-terephthalic acid.

Application

p-Xylene may be used in the synthesis of ethyl 2,5-dimethylphenylhydroxymalonate by reacting with ethyl oxomalonate in the presence of anhydrous stannic chloride.

signalword

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_germany

WGK 2

flash_point_f

closed cup

flash_point_c

closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Riebsomer JL and Irvine J
Organic Syntheses, 25, 33-33 (1945)
Joshua B Marlow et al.
Physical chemistry chemical physics : PCCP, 20(24), 16592-16603 (2018-06-07)
Lamellar liquid crystals comprising oil, water and surfactant(s) were formulated and analysed in order to examine how these materials responded to the inclusion of inorganic nanoparticles, in terms of their structural and rheological characteristics. Lamellar phases were formed from mixtures
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.
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Angewandte Chemie (International ed. in English), 49(8), 1477-1480 (2010-01-22)

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