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What is the molecular formula and structure of o-xylene?

Jan 28, 2026 Leave a message

What Is o-Xylene (ortho-xylene)?

o-Xylene (ortho-xylene) is an aromatic hydrocarbon with the molecular formula C8H10. It appears as a colorless, slightly oily, flammable liquid and is one of the three isomers of xylene. Its core structure is a benzene ring with two methyl groups attached to adjacent (1,2-position) carbon atoms. It is primarily used to produce phthalic anhydride, a key raw material for plastics, paints, and coatings.

 

What is the molecular formula and structure of o-xylene

Molecular Formula: C8​H10​ (also written as C6​H4​(CH3​)2​).

 

Structure

Structure Of O-Xylene

  • Benzene Ring Core: The molecule is built around a six-carbon aromatic ring, which forms its stable, cyclic structure.
  • Adjacent Methyl Groups: The "ortho" label indicates the two methyl (−CH 3) groups are attached next to each other on the benzene ring (positions 1 and 2). This is different from meta-xylene (groups at 1,3) and para-xylene (groups at 1,4).
  • SMILES Structure: CC1=C(C)C=CC=C1

 

 

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o-Xylene (ortho-xylene) Properties

Physical Properties  
Molecular weight 106.17
Boiling point 144.41°C
Vapor pressure 6 Torr at 20°C
Freezing point -25.18°C
Refractive index 1.5054 at 20°C
Density 0.8802 g/mL (7.346 lb/gal) at 20°C
  0.8760 g/mL (7.311 lb/gal) at 25°C
Dielectric constant 2.57 at 20°C
Dipole moment 0.45 D at 25°C
Solvent group 7
Polarity index (P') 2.5
Eluotropic value on alumina 0.26
Viscosity 0.81 cP at 20°C
Surface tension 30.03 dyn/cm at 20°C
Solubility in water 0.018% at 25°C
   
Regulatory and Safety Data  
DOT Hazard Class 3, Flammable Liquid
Packing Group II
UN Identification Number UN1307

 

 

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