H2198
Heptane
ReagentPlus®, 99%
Synonym(s):
Heptyl hydride, n-Heptane
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About This Item
Linear Formula:
CH3(CH2)5CH3
CAS Number:
Molecular Weight:
100.20
UNSPSC Code:
12352001
NACRES:
NA.06
PubChem Substance ID:
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
Assay:
99%
Bp:
98 °C (lit.)
Vapor pressure:
40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)
vapor density
3.5 (vs air)
Quality Level
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
Greener Alternative Product
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
SMILES string
CCCCCCC
InChI
1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI key
IMNFDUFMRHMDMM-UHFFFAOYSA-N
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.
Application
Greener alternatives to Hexane.
Features and Benefits
Greener alternative for hexane
Packaging
Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany
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signalword
Danger
hcodes
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
flash_point_f
24.8 °F - closed cup
flash_point_c
-4 °C - closed cup
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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
Ross J Ellis et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 20(40), 12796-12807 (2014-08-30)
Combining experiment with theory reveals the role of self-assembly and complexation in metal-ion transfer through the water-oil interface. The coordinating metal salt Eu(NO3)3 was extracted from water into oil by a lipophilic neutral amphiphile. Molecular dynamics simulations were coupled to
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