412236

Octane

reagent grade, 98%

• Synonym(s): n-Octane
• Linear Formula: CH₃(CH₂)₆CH₃
• CAS Number: 111-65-9
• Molecular Weight: 114.23
• Beilstein/REAXYS Number: 1696875
• EC Number: 203-892-1
• MDL number: MFCD00009556
• UNSPSC Code: 12352100
• PubChem Substance ID: 329756072
• NACRES: NA.21
• grade: reagent grade
• assay: 98%
• bp: 125-127 °C (lit.)
• vapor pressure: 11 mmHg ( 20 °C)

Properties

• grade: reagent grade
• Quality Level: 200
• vapor density: 3.9 (vs air)
• vapor pressure: 11 mmHg ( 20 °C)
• assay: 98%
• form: liquid
• autoignition temp.: 428 °F
• expl. lim.: 6.5 %
• dilution: (for analytical testing)
• refractive index: n20/D 1.398 (lit.)
• bp: 125-127 °C (lit.)
• mp: −57 °C (lit.)
• density: 0.703 g/mL at 25 °C (lit.)
• SMILES string: CCCCCCCC
• InChI: 1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
• InChI key: TVMXDCGIABBOFY-UHFFFAOYSA-N

Description

General description

Octane is an aliphatic hydrocarbon that is widely used as a solvent in paint, adhesives, and liquid process photocopiers.

Application

Octane can be used as a solvent in the:

• Selective hydrogenation of furfural.
• Metal-free oxidation of aromatic thiophenes to sulfones.
• Ni-catalyzed β-alkylation of alcohols.
• Enzyme-catalyzed epoxidation of unconjugated terminal alkenes.

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 55.4 °F - closed cup
• flash_point_c: 13 °C - closed cup