6703-98-6

Basic information

• Product Name: hectane
• Synonyms: Hectane
• CAS NO: 6703-98-6
• Molecular Formula: C₁₀₀H₂₀₂
• Molecular Weight: 1404.67388
• Mol File: 6703-98-6.mol
• Article Data: 0

Chemical Properties

• CAS DataBase Reference: hectane(CAS DataBase Reference)
• NIST Chemistry Reference: hectane(6703-98-6)
• EPA Substance Registry System: hectane(6703-98-6)

Safety Data

• Hazardous Substances Data: 6703-98-6(Hazardous Substances Data)

Usage

General Description

Heptane is a colorless liquid with an odor similar to that of gasoline. This straight-chain alkane is a highly flammable chemical compound that is made up of seven carbon atoms and sixteen hydrogen atoms, which is reflected in its chemical formula, C7H16. It is insoluble in water and soluble in organic solvents. It is most commonly used in laboratories as a non-polar solvent, but it is also found in various industrial applications, including in gasoline blends and as fuel for camping stoves. As an unregulated and naturally occurring component of gasoline, it is used to gauge the knock resistance in spark-ignition internal combustion engines. Like other hydrocarbons, exposure to heptane can cause dizziness, nausea, and even unconsciousness in high concentrations.

Synthetic route

1-iodo-pentacontane → hectane (6703-98-6)

Conditions	Yield
With sodium at 150℃;

1-iodo-hentriacontane (57094-91-4) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 5 steps 1: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge 2: amalgamated zinc; hydrogen chloride 3: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 4: phosphorus; iodine 5: sodium / 150 °C View Scheme

hentriacontanol (544-86-5) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 6 steps 1: iodine; phosphorus 2: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge 3: amalgamated zinc; hydrogen chloride 4: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 5: phosphorus; iodine 6: sodium / 150 °C View Scheme

1-hentriacontanoic acid (38232-01-8) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 7 steps 1: copper-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 2: iodine; phosphorus 3: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge 4: amalgamated zinc; hydrogen chloride 5: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 6: phosphorus; iodine 7: sodium / 150 °C View Scheme

3-oxo-eicosanedioic acid dimethyl ester (856363-47-8) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 5 steps 1: pentan-2-one; potassium carbonate / Erwaermen des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge 2: amalgamated zinc; hydrogen chloride 3: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 4: phosphorus; iodine 5: sodium / 150 °C View Scheme

pentacontan-1-ol (40710-43-8) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus; iodine 2: sodium / 150 °C View Scheme

pentacontanoic acid propyl ester (40710-39-2) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 3 steps 1: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 2: phosphorus; iodine 3: sodium / 150 °C View Scheme

18-oxo-pentacontanoic acid (40710-26-7) → hectane (6703-98-6)

Conditions	Yield
Multi-step reaction with 4 steps 1: amalgamated zinc; hydrogen chloride 2: copper oxide-chromium oxide / 250 °C / 110326 Torr / Hydrogenation 3: phosphorus; iodine 4: sodium / 150 °C View Scheme

Upstream product

• 40710-26-7 18-oxo-pentacontanoic acid 
• 40710-39-2 pentacontanoic acid propyl ester 
• 40710-43-8 pentacontan-1-ol 
• 856363-47-8 3-oxo-eicosanedioic acid dimethyl ester 
• 38232-01-8 1-hentriacontanoic acid 
• 544-86-5 hentriacontanol 
• 57094-91-4 1-iodo-hentriacontane