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95682

p-Xylene

puriss. p.a., ≥99.0% (GC)

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
EC Number:
203-396-5
UNSPSC Code:
12352005
PubChem Substance ID:
329770480
Beilstein/REAXYS Number:
1901563
MDL number:
MFCD00008556
Assay:
≥99.0% (GC)
Technique(s):
GC/GC: suitable
Bp:
138 °C (lit.)
Vapor pressure:
9 mmHg ( 20 °C)
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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 %

technique(s)

GC/GC: suitable

impurities

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

evapn. residue

≤0.002%

refractive index

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

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.

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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
STBJ9629
STBJ9036
BCCD5567
STBJ3842
STBH6700

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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)
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Global Trade Item Number

SKUGTIN
95682-1L04061833316375
95682-2.5L04061837852589