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494526

Sigma-Aldrich

Heptane

greener alternative

biotech. grade, ≥99%

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

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 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

Aligned,

SMILES string

CCCCCCC

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

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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).
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.

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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

WGK

WGK 2

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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High pressure pyrolysis of n-heptane.
Chakraborty JP and Kunzru D.
Journal of Analytical and Applied Pyrolysis, 86(1), 44-52 (2009)
Hydroisomerization of n-heptane over MoP/Hβ catalyst doped with metal additive.
Liu P, et al.
Fuel Processing Technology, 131, 311-316 (2015)
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)
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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