Description
Description
Heptane For HPLC ≥96% 4 Liter Case/4
- CAS Number 142-82-5
- Linear Formula CH3(CH2)5CH3
- Molecular Weight 100.20
- Beilstein/REAXYS Number 1730763
- EC Number 205-563-8
- MDL number MFCD00009544
- PubChem Substance ID 329758614
- NACRES NA.06
| grade | for HPLC |
| vapor density | 3.5 (vs air) |
| vapor pressure | 40 mmHg ( 20 °C) |
| 83 mmHg ( 37.7 °C) | |
| assay | ≥96% |
| autoignition temp. | 433 °F |
| composition | n-heptane, 96% |
| expl. lim. | 7 % |
| greener alternative product characteristics | Safer Solvents and AuxiliariesLearn more about the Principles of Green Chemistry. |
| impurities | <0.02% water |
| evapn. residue | <0.0003% |
| color | APHA: ≤10 |
| refractive index | n20/D 1.387 (lit.) |
| bp | 98 °C (lit.) |
| 98 °C | |
| mp | −91 °C (lit.) |
| solubility | acetone: miscible(lit.) |
| carbon tetrachloride: soluble(lit.) | |
| ethanol: very soluble(lit.) | |
| ethyl acetate: miscible(lit.) | |
| water: insoluble(lit.) | |
| density | 0.684 g/mL at 25 °C (lit.) |
| λmax | 400 nm (2nd) |
| 0.01 at 254 nm | |
| absorption | 0.10 at 225 nm |
| 0.40 at 210 nm | |
| 1.0 at 197 nm | |
| Featured Industry | Food and Beverages |
| SMILES string | CCCCCCC |
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChI key | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
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
Greener alternatives to Hexane in HPLC.
Heptane (n-heptane) may be used:
• 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.
GHS02, GHS07, GHS08, GHS09
Signal word Danger
Hazard statements H225-H304-H315-H336-H410
Precautionary statements P210-P301 + P310-P331-P370 + P378-P403 + P235
RIDADR UN1206 – class 3 – PG 2 – Heptanes
WGK Germany 2
RTECS MI7700000
Flash Point(F) 71.6 °F
Flash Point(C) 22 °C
Documents
Safety Data Sheet
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