134449

p-Xylene

ReagentPlus^®, 99%

• Synonym(s): 1,4-Dimethylbenzene
• Linear Formula: C₆H₄(CH₃)₂
• CAS Number: 106-42-3
• Molecular Weight: 106.17
• Beilstein/REAXYS Number: 1901563
• EC Number: 203-396-5
• MDL number: MFCD00008556
• UNSPSC Code: 12352005
• PubChem Substance ID: 329750177
• NACRES: NA.21

Properties

• vapor density: 3.7 (vs air)
• Quality Level: 100
• 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.)
• 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

Description

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.

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).

Legal Information

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

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H304,H312 + H332,H315,H319,H335,H412
• pcodes: P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P331
• 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_germany: WGK 2
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup