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greener alternative

biotech. grade, ≥99%

Linear Formula:
CAS Number:
Molecular Weight:
EC Number:
MDL number:
PubChem Substance ID:

Quality Level


biotech. grade

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)





autoignition temp.

433 °F

expl. lim.

7 %

greener alternative product characteristics

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.


<0.005% water

evapn. residue



APHA: ≤10

refractive index

n20/D 1.387 (lit.)


98 °C (lit.)


−91 °C (lit.)


acetone: miscible(lit.)
carbon tetrachloride: soluble(lit.)
ethanol: very soluble(lit.)
water: insoluble(lit.)


0.684 g/mL at 25 °C (lit.)


H2O reference

UV absorption

λ: 197 nm Amax: 1.00
λ: 210 nm Amax: 0.40
λ: 220 nm Amax: 0.15
λ: 230 nm Amax: 0.05
λ: 260-400 nm Amax: 0.01

greener alternative category


SMILES string




InChI key


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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).


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.


1 L in Sure/Seal™

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.

Signal Word


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 Code

3 - Flammable liquids



Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Whole-cell double oxidation of n-heptane.
Muller CA, et al.
Journal of Biotechnology, 191, 196-204 (2014)
Activation of n-Heptane: A Study with VMgO Catalysts.
Dasireddy VDBC, et al.
Catalysis Letters, 144(4), 590-597 (2014)
Hydroisomerization of n-heptane over MoP/Hβ catalyst doped with metal additive.
Liu P, et al.
Fuel Processing Technology, 131, 311-316 (2015)
High pressure pyrolysis of n-heptane.
Chakraborty JP and Kunzru D.
Journal of Analytical and Applied Pyrolysis, 86(1), 44-52 (2009)
Madan Lal Verma et al.
Enzyme research, 2011, 919386-919386 (2011-05-24)
Selective production of fragrance fatty acid ester from isopropanol and acetic acid has been achieved using silica-immobilized lipase of Bacillus cereus MTCC 8372. A purified thermoalkalophilic extracellular lipase was immobilized by adsorption onto the silica. The effects of various parameters

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