494526

Heptane

biotech. grade, ≥99%

• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• Beilstein/REAXYS Number: 1730763
• EC Number: 205-563-8
• MDL number: MFCD00009544
• UNSPSC Code: 12352001
• PubChem Substance ID: 57651198
• NACRES: NA.21

Properties

• grade: biotech. grade
• Quality Level: 100
• vapor density: 3.5 (vs air)
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• assay: ≥99%
• 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.
• sustainability: Greener Alternative Product
• impurities: <0.005% water
• evapn. residue: <0.0002%
• color: APHA: ≤10
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• solubility: acetone: miscible(lit.); carbon tetrachloride: soluble(lit.); ethanol: very soluble(lit.); water: insoluble(lit.)
• density: 0.684 g/mL at 25 °C (lit.)
• λ: H₂O reference
• UV absorption: λ: 197 nm A_max: 1.00; λ: 210 nm A_max: 0.40; λ: 220 nm A_max: 0.15; λ: 230 nm A_max: 0.05; λ: 260-400 nm A_max: 0.01
• greener alternative category: Aligned,
• 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 (n-Heptane) is an alkane hydrocarbon. It is a primary reference fuel (PRF) employed for determining the octane number of fuels in internal combustion engines. Its cetane number and octane number has been reported to be 56 and 0 respectively. Its thermal decomposition has been studied under different conditions of temperature and pressure. Its oxidative dehydrogenation in the presence of magnesium oxide supported vanadium catalyst has been investigated. Molybdenum phosphide supported on Hβ zeolite (MoP/Hβ) catalyzed hydroisomerization of n-heptane has been reported to be enhanced by doping with secondary metals (Cr, Ni or Ce).

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 and greener alternative to hexane and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information. Heptane is a linear hydrocarbon that is considered as a greener alternative to the more toxic hexane.

Application

Greener alternatives to Hexane.

Heptane (n-Heptane) may be used:

• To compose a solvent mixture with diethyl ether for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC.
• To generate of chiral alcohols and heptanones, via whole cell double oxidation.
• As a solvent in the synthesis of isopropyl acetate, via esterification of acetic acid with isopropyl alcohol catalyzed by lipase immobilized on silica.

Features and Benefits

Greener alternative for hexane

Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

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: 24.8 °F - closed cup
• flash_point_c: -4 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter