HX0080

Heptane

• Synonym(s): n-Heptane, Heptane
• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• Beilstein/REAXYS Number: 1730763
• MDL number: MFCD00009544
• UNSPSC Code: 12191502
• EC Index Number: 205-563-8

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 200
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• assay: ≥99% n-heptane basis; ≥99.9% (saturated C7 hydrocarbons)
• form: liquid
• autoignition temp.: 433 °F
• expl. lim.: 7 %
• greener alternative product characteristics: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• impurities: ≤0.01% Water (H2O)
• evapn. residue: ≤5 ppm
• color: APHA: ≤10
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• transition temp: flash point -4 °C
• solubility: 0.05 g/L
• density: 0.684 g/mL at 25 °C (lit.)
• greener alternative category: , Aligned
• shipped in: ambient
• storage temp.: room temp
• SMILES string: CCCCCCC
• InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChI key: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Description

General description

Heptane is a saturated, neutral aliphatic hydrocarbon derived from crude oil. It is commonly used as a laboratory solvent in organic synthesis due to its low reactivity with other molecules.

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Heptane is an environmentally preferable solvent compared to hexane and thus align with "Safer Solvents and Auxiliaries". Click here for more information.

Application

Heptane can be used in the following process:

• As a solvent for the extraction of aromatic sulfur compounds.
• A mixture of heptane/acetone solvent system used in the chromatographic purification of organic compounds.
• Heptane/ionic liquid two-phase solvent system used to synthesize isoamyl acetate via esterification reaction using lipase as a catalyst.
• As a weakly polar diluent to prepare mobile phase for thin-layer chromatography (TLC).
• In the synthesis of SBA-15, heptane can be used as a pore swelling agent in combination with NH₄F to control the particle morphology and pore size of SBA-15.

Analysis Note

Assay (n-heptane): 99.0% min
Assay (saturated C7 hydrocarbons): 99.9% min
Color (APHA): 10 max
Evaporation residue: 5ppm max
Form: Clear liquid
Infrared Spectrum: Conforms to standard
Water (H2O): 0.01% max

Safety Information

• pictograms: GHS02,GHS07,GHS08,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: 24.8 °F
• flash_point_c: -4 °C