650536
Heptane
HPLC Plus, for HPLC, GC, and residue analysis, 99%
grade
HPLC Plus
for residue analysis
Quality Level
vapor density
3.5 (vs air)
vapor pressure
40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)
Assay
≥98.5% (GC)
99%
form
liquid
autoignition temp.
433 °F
expl. lim.
7 %
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technique(s)
HPLC: suitable
gas chromatography (GC): suitable
impurities
≤0.0001% non-volatiles
≤0.01% water (Karl Fischer)
≤1.0 ppb Fluorescence (quinine) at 365 nm
halogenated residue
≤2 μg/L (as heptachlor epoxide)
refractive index
n20/D 1.3850-1.3890
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: 200 nm Amax: ≤1.0
λ: 225 nm Amax: ≤0.10
λ: 250 nm Amax: ≤0.01
λ: 300-400 nm Amax: ≤0.005
suitability
corresponds for IR spectroscopy
application(s)
food and beverages
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
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General description
Heptane (n-Heptane) is a primary reference fuel (PRF) for the rating of octane numbers of fuels in internal combustion engines. Its cetane number has been reported to be 56. Mechanism and kinetic studies of its oxidation in flow reactors, shock tubes and rapid compression machines have been proposed. 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).
Application
Spectrophotometry.
Environmental testing.
- To compose the solvent mixtures for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC (Thin Layer Chromatography).
- To generate 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
Other Notes
Legal Information
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
Regulatory Information
Certificates of Analysis (COA)
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