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Merck
CN

134449

p-Xylene

ReagentPlus®, 99%

Synonym(s):

1,4-Dimethylbenzene

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About This Item

Linear Formula:
C6H4(CH3)2
CAS Number:
106-42-3
Molecular Weight:
106.17
UNSPSC Code:
12352005
NACRES:
NA.21
PubChem Substance ID:
329750177
EC Number:
203-396-5
Beilstein/REAXYS Number:
1901563
MDL number:
MFCD00008556
Assay:
99%
Technique(s):
GC/MS: suitable
Bp:
138 °C (lit.)
Vapor pressure:
9 mmHg ( 20 °C)

Key Documents

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Product Name

p-Xylene, ReagentPlus®, 99%

InChI key

URLKBWYHVLBVBO-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1ccc(C)cc1

vapor density

3.7 (vs air)

vapor pressure

9 mmHg ( 20 °C)

product line

ReagentPlus®

assay

99%

form

liquid

autoignition temp.

984 °F

expl. lim.

7 %

technique(s)

GC/MS: suitable

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.)

Quality Level

100

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Application

p-Xylene may be used in the synthesis of poly-p-xylene and terephthalic acid.
p-xylene mayumb be used in the single drop microextraction of the corresponding organochlorine pesticides in vegetables, separated via gas chromatography(GC)coupled with mass spectrometry(MS).

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. Its sustainable synthesis from ethylene and dimethylfuran in the presence of zeolite catalysts has been reported.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB7146
SDBB7023
MKCZ6799
STBK6960
STBK6379

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Mixed liquids for single-drop microextraction of organochlorine pesticides in vegetables
Zhang M, et al.
Talanta, 74(4), 599-604 (2008)
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)
Ultra-selective cycloaddition of dimethylfuran for renewable p-xylene with H-BEA.
Chang CC, et al.
Green Chemistry, 16(2), 585-588 (2014)
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