Heptane
SIGALD/650536 - HPLC Plus, for HPLC, GC, and residue analysis, 99%
CAS Number: 142-82-5
Empirical Formula (Hill Notation): C7H16
Molecular Weight: 100.20
EC Number: 205-563-8
MDL Number: MFCD00009544
Linear Formula: CH3(CH2)5CH3
Product Type: Chemical
12 Principles of Green Chemistry: Principle 5—Safer Solvents and Auxiliaries. This product utilizes reduced volumes of auxiliary substances that are less hazardous.
| λ | H2O reference |
| application(s) | food and beverages |
| assay | ≥98.5% (GC) |
| 99% | |
| autoignition temp. | 433 °F |
| bp | 98 °C (lit.) |
| density | 0.684 g/mL at 25 °C (lit.) |
| expl. lim. | 7 % |
| form | liquid |
| grade | for residue analysis |
| HPLC Plus | |
| greener alternative category | Aligned  |
| greener alternative product characteristics | Safer Solvents and Auxiliaries Learn more about the Principles of Green Chemistry . |
| halogenated residue | ≤2 μg/L (as heptachlor epoxide) |
| impurities | ≤0.0001% non-volatiles |
| ≤0.01% water (Karl Fischer) | |
| ≤1.0 ppb Fluorescence (quinine) at 365 nm | |
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h |
| InChI key | IMNFDUFMRHMDMM-UHFFFAOYSA |
| mp | −91 °C (lit.) |
| Quality Level | 100 |
| refractive index | n |
| n |
|
| SMILES string | CCCCCCC |
| solubility | acetone: miscible(lit.) |
| carbon tetrachloride: soluble(lit.) | |
| ethanol: very soluble(lit.) | |
| water: insoluble(lit.) | |
| suitability | corresponds for IR spectroscopy |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| 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 | |
| vapor density | 3.5 (vs air) |
| vapor pressure | 40 mmHg ( 20 °C) |
| 83 mmHg ( 37.7 °C) |
| Application: | Greener alternatives to Hexane in HPLC. Spectrophotometry. Environmental testing. |
| Application: | 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. |
| 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 for HPLC and GC and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here  for more information.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). |
| Legal Information: | Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC |
| Other Notes: | What is a green solvent? A comprehensive framework for the environmental assessment of solvents |
| Other Notes: | Pesticide Residue Analysis (as Heptachlor Epoxide) <2 μg/L |
| Other Notes: | Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723. |
| Packaging: | 1, 6×1, 4, 4×4 L in glass bottle |
| Packaging: | 50 L in Pure-Pac™ 2 |
| Recommended products: | Discover LiChropur reagents ideal for HPLC or LC-MS analysis |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H410 |
| Precautionary statements | P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN1206 - class 3 - PG 2 - Heptanes |
| WGK Germany | WGK 2 |
| Flash Point(F) | 24.8 °F |
| Flash Point(C) | -4 °C |
| Purity | ≥98.5% (GC); 99% |
| bp | 98 °C (lit.) |
| mp | −91 °C (lit.) |
| Density | 0.684 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12190000 |