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Merck
CN

H2198

Heptane

greener alternative

ReagentPlus®, 99%

Synonym(s):

Heptyl hydride, n-Heptane

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About This Item

Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
UNSPSC Code:
12352001
NACRES:
NA.06
PubChem Substance ID:
329815183
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
MFCD00009544
Assay:
99%
Bp:
98 °C (lit.)
Vapor pressure:
40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

Key Documents

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Product Name

Heptane, ReagentPlus®, 99%

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCC

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

product line

ReagentPlus®

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

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dilution

(for general lab use)

refractive index

n20/D 1.387 (lit.)

bp

98 °C (lit.)

mp

−91 °C (lit.)

density

0.684 g/mL at 25 °C (lit.)

greener alternative category

Aligned,

Quality Level

100

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Related Categories

Application

Greener alternatives to Hexane.

Features and Benefits

Greener alternative for hexane

General description

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.

Other Notes

What is a green solvent? A comprehensive framework for the environmental assessment of solvents
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Packaging

View returnable container options.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

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

WGK 2

flash_point_f

24.8 °F - closed cup

flash_point_c

-4 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4952
SHBS3563
MKCZ2986
SHBT2971
BCCN8394

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Bing Chen et al.
Journal of hazardous materials, 188(1-3), 369-374 (2011-02-26)
The influence of the initial fuel temperature on the burning behavior of n-heptane pool fire was experimentally studied at the State Key Laboratory of Fire Science (SKLFS) large test hall. Circular pool fires with diameters of 100mm, 141 mm, and
Arun K Kota et al.
Advanced materials (Deerfield Beach, Fla.), 24(43), 5838-5843 (2012-08-30)
Hierarchically structured, superoleophobic surfaces are demonstrated that display one of the lowest contact angle hysteresis values ever reported - even with extremely low-surface-tension liquids such as n-heptane. Consequently, these surfaces allow, for the first time, even ≈2 μL n-heptane droplets
S Monadjemi et al.
Environmental science & technology, 45(22), 9582-9589 (2011-09-29)
Photodegradation is seldom considered at the surface of vegetation after crop spraying. Chlorothalonil, a broad-spectrum foliar fungicide with a very widespread use worldwide, was considered. To represent the waxy upper layer of leaves, tests were performed within thin paraffin wax
Jovana Zečević et al.
Nature, 528(7581), 245-248 (2015-12-15)
The ability to control nanoscale features precisely is increasingly being exploited to develop and improve monofunctional catalysts. Striking effects might also be expected in the case of bifunctional catalysts, which are important in the hydrocracking of fossil and renewable hydrocarbon
Thushara Karunasekara et al.
Journal of chromatography. A, 1218(6), 809-816 (2011-01-07)
Partition coefficients for varied compounds were determined for the organic solvent-propylene carbonate biphasic partition system where the organic solvent is n-heptane, isopentyl ether or 1-octanol. These partition coefficient databases are analyzed using the solvation parameter model facilitating a quantitative comparison
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