o-Xylene

o-Xylene
Compound Structure:
Synonyms: 1,2-Dimethylbenzene; 1,2-Xylene; 95-47-6; Ortho-Xylene; Xylene; o-Methyltoluene; 2-Xylene; o-Dimethylbenzene; Benzene, 1,2-dimethyl-; 3,4-Xylene; 1,2-Dimethylbenzol; o-Xylenes; Benzene, o-dimethyl-; 2-Methyltoluene; orthoxylene; NSC 60920; DTXSID3021807
Compound ID: NMPC-1370
PubChem ID:

7237

Molecular Formula: C8H10
Canonical SMILES: CC1=CC=CC=C1C
InChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
About the compound:

O-xylene, or ortho-xylene, is a chemical compound with the molecular formula C8H10. This colorless, slightly oily liquid is a constitutional isomer of the other xylene compounds, meta-xylene and para-xylene. It is typically derived from the distillation of petroleum and is primarily used in the production of phthalic anhydride, which is a precursor to many dyes, plastics, and other chemicals. The compound has a boiling point ranging between 143-145 °C and exhibits a characteristic sweet, aromatic odor. O-xylene is slightly less dense than water, with a density of about 0.88 g/mL at 20 °C. It is also known for its moderate volatility and flammability, making it an important solvent in the chemical industry. O-xylene's toxicity is relatively low compared to other industrial compounds, but it can have narcotic effects at high concentrations. Its oral LD50 for rats is reported as 4300 mg/kg, indicating moderate acute toxicity. Safety measures are essential when handling o-xylene due to its flammable nature and potential health effects from prolonged exposure.

References 

National Institute of Standards and Technology. (n.d.). NIST Chemistry WebBook. Retrieved from https://webbook.nist.gov

Wikipedia. (n.d.). O-Xylene. Retrieved from https://en.wikipedia.org/wiki/O-Xylene

ChemSpider. (n.d.). O-Xylene. Retrieved from http://www.chemspider.com/Chemical-Structure.21106234.html

First Aid

In the event of exposure:

EYES: Remove contact lenses, flush eyes with water for 20-30 minutes, and seek immediate medical attention.

SKIN: Rinse affected skin with water, wash with soap, and seek medical help if irritation occurs.

INHALATION: Leave contaminated area, breathe fresh air, and seek medical help if symptoms arise. Use proper respiratory protection.

INGESTION: Do not induce vomiting. Give water if conscious and seek medical help. If unconscious, ensure open airway and transport to hospital without inducing vomiting.

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina

GHS Hazard Statements

H226: Flammable liquid and vapor [Warning Flammable liquids]

H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

H315: Causes skin irritation [Warning Skin corrosion/irritation]

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

106.16 g/mol

XLogP3

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

106.078250319 g/mol

Monoisotopic Mass

106.078250319 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

56.4

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

O-xylene appears as a colorless watery liquid with a sweet odor. Less dense than water. Insoluble in water. Irritating vapor. (USCG, 1999)

Boiling Point

144 °C

Melting Point

-13 to -9 °F (NTP, 1992)

Solubility 

Insoluble in water

Vapor Pressure

Relative vapor density (air = 1): 3.7

Source: PubChem                                           

Source Species: Anacardium occidentale
Annona senegalensis
Tabebuia Rosea
Tecoma stans
Terminalia catappa
Download SDF