Octane
Octane (CAS: 111-65-9), with the molecular formula CH3(CH2)6CH3 and a molar mass of 114.23 g/mol, is a key acyclic alkane. It is a volatile, colourless liquid primarily recognised for its role as a reference fuel component in the octane rating system for gasoline. Octane serves as a versatile solvent and a building block in organic synthesis, essential for various chemical research and industrial applications.
- IUPAC
- n-Octane

Fuel Standard and Research
Octane is a primary component in determining the octane rating of gasoline, serving as a reference fuel. Its defined combustion characteristics make it invaluable for engine performance testing and research.
Solvent Applications
As a nonpolar organic solvent, octane is effective for dissolving oils, fats, and other nonpolar substances. It finds use in industrial cleaning processes and laboratory applications requiring a specific solvency profile.
Chemical Synthesis
Octane acts as a precursor and building block in various organic synthesis pathways. It is used in the production of other chemicals and materials within the chemical and petrochemical industries.
| Molecular weight | 114.23 |
|---|---|
| Linear formula | CH3(CH2)6CH3 |
| Assay | ≥99% (CP)≥99.999% metals basis |
| Boiling point | 125-127 °C(lit.) |
| Density | 0.703 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.398(lit.) |
| Vapour pressure | 11 mmHg (20 °C) |
| Melting point | −57 °C(lit.) |
| Vapour density | 3.9 (vs air) |
| Autoignition temp | 428 °F |
| Impurities tested | <0.005% water(100 mL pkg) |




Hazard statements
- H225Highly flammable liquid and vapour
- H304May be fatal if swallowed and enters airways
- H315Causes skin irritation
- H336May cause drowsiness or dizziness
- H410Very toxic to aquatic life with long-lasting effects
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P261Avoid breathing dust, fume, gas or vapours
- P273Avoid release to the environment
- P301IF SWALLOWED
- P331Do NOT induce vomiting
- P501Dispose of contents and container per local regulations
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 13 °C / 55.4 °F |
| Transport (UN / ADR) | UN 1262 3 / PGII |
| Water hazard class (WGK, DE) | 2 |
| Hazard codes (EU) | F,Xn,N |
| Risk statements (R) | 11-38-50/53-65-67 |
| Safety statements (S) | 9-16-29-33-60-61-62 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
| Evapn Residue | <0.0003% |
|---|
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Octane used for?
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Octane is primarily used as a reference fuel in the octane rating system for gasoline, as a nonpolar solvent for dissolving oils and fats, and as a building block in chemical synthesis.
What is the CAS number and formula for Octane?
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The CAS number for Octane is 111-65-9, and its molecular formula is CH3(CH2)6CH3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions typically supplies Octane with an assay of ≥99% (CP) and ≥99.999% metals basis. We do not represent this product as USP, BP, or EP grade unless explicitly stated in the product specifications.
What are the main safety hazards associated with Octane?
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Octane is highly flammable (H225) and can be fatal if swallowed and enters airways (H304). It causes skin irritation (H315), may cause drowsiness or dizziness (H336), and is toxic to aquatic life with long-lasting effects (H410). Always handle with appropriate personal protective equipment.
How is Octane packed and shipped by TSS?
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Octane is available in various packaging options suitable for laboratory and industrial use. As a global supplier, TSS ensures adherence to all relevant shipping and export regulations for hazardous materials.
How can I request a sample or quote for Octane?
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To request a sample or a quote for Octane, please contact our sales team through the website or by phone, providing your specific requirements.
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