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Merck
CN

730491

Heptanes, mixture of isomers

greener alternative

contains ≥25% n-heptane, ReagentPlus®

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About This Item

Empirical Formula (Hill Notation):
C7H16
CAS Number:
142-82-5
Molecular Weight:
100.20
MDL number:
MFCD00009544
UNSPSC Code:
12191502
Assay:
≥99.0%
Technique(s):
HPLC: suitable
Bp:
92-100 °C

Key Documents

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Product Name

Heptanes, mixture of isomers, contains ≥25% n-heptane, ReagentPlus®

SMILES string

C(CCC)CCC

InChI

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

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

product line

ReagentPlus®

assay

≥99.0%

form

liquid

contains

≥25% n-heptane

greener alternative product characteristics

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

sustainability

Greener Alternative Product

technique(s)

HPLC: suitable

impurities

≤0.01% (water)

bp

92-100 °C

density

0.693 g/mL at 25 °C

greener alternative category

Aligned,

Quality Level

100

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Related Categories

Application

Greener alternatives to Hexane in HPLC.

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.

The product is a mixture of heptane isomers with ≥25% n-heptane. The influence of the molecular structure of heptane isomers on the combustion rate was investigated. The thermodynamic changes on mixing heptane isomers with hexadecanes were reported. The performance of Pd/SAPO (palladium/silicoaluminophosphates)-5 and Pd/SAPO-11 molecular seives in the hydroconversion of heptane isomers was studied. Photolysis of heptane isomers by one-color 157nm ionization was analyzed using ion imaging and time-of-flight mass spectroscopy.

Other Notes

What is a green solvent? A comprehensive framework for the environmental assessment of solvents

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3093
SHBT0199
SHBS7115
SHBS7114
SHBS5484

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Hydroisomerization of heptane isomers over Pd/SAPO molecular sieves: influence of the acid and metal site concentration and the transport properties on the activity and selectivity.
Hochtl M, et al.
J. Catal., 190(2), 419-432 (2000)
Photodissociation of heptane isomers and relative ionization efficiencies of butyl and propyl radicals at 157 nm.
Silva R, et al.
Physical Chemistry Chemical Physics, 11(23), 4777-4781 (2009)
Thermodynamics of mixtures of hexane and heptane isomers with normal and branched hexadecane.
Barbe M and Patterson D.
Journal of Solution Chemistry, 9(10), 753-769 (1980)
The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study.
Silke EJ, et al.
Proceedings of the Combustion Institute, 30(2), 2639-2647 (2005)
Heptane as a less toxic option than hexane for the separation of vitamin E from food products using normal phase HPLC.
Buddrick O, et al.
Royal Society of Chemistry Advances, 3, 24063-24068 (2013)

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