1.09798

o-Xylene

reference substance for gas chromatography

• Synonym(s): 1,2-Dimethylbenzene
• Linear Formula: C₆H₄(CH₃)₂
• CAS Number: 95-47-6
• Molecular Weight: 106.17
• Beilstein: 1815558
• MDL number: MFCD00008519
• UNSPSC Code: 12352005
• EC Index Number: 202-422-2

Properties

• vapor density: 3.7 (vs air)
• Quality Level: 100
• vapor pressure: <0.1 atm ( 21.1 °C); 16 mmHg ( 37.7 °C); 7 mmHg ( 20 °C)
• Assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 867 °F
• expl. lim.: 7 %
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.505 (lit.)
• bp: 143-145 °C (lit.)
• mp: -26--23 °C (lit.)
• transition temp: flash point 30 °C
• solubility: 0.18 g/L
• density: 0.879 g/mL at 20 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: Cc1ccccc1C
• InChI: 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
• InChI key: CTQNGGLPUBDAKN-UHFFFAOYSA-N

Description

Application

• o-Xylene for spectroscopy and chromatography: The use of o-Xylene in the field analysis of gas-phase VOCs highlights its application as an effective solvent in compound-specific isotope analysis, underlining its importance in environmental monitoring and pharmaceutical research (J Contam Hydrol, 2024; doi: 10.1016/j.jconhyd.2024.104310).


• o-Xylene in molecular biology research applications: Research utilizes o-Xylene in molecular dynamics simulations to understand the adsorption and diffusion behaviors of aromatic compounds, providing insights crucial for the development of advanced materials and pharmaceutical applications (Langmuir, 2024; doi: 10.1021/acs.langmuir.3c03706).

Analysis Note

Assay (GC): ≥ 99.0 %
Identity (IR-spectrum): conforms

Safety Information

• Pictograms: GHS02,GHS07,GHS08
• Signal Word: Danger
• Hazard Statements: H226 - H304 - H312 + H332 - H315 - H319 - H335 - H412
• Precautionary Statements: 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 Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 89.6 °F - closed cup
• Flash Point(C): 32.0 °C - closed cup