Heptane
SIAL/494526 - biotech. grade, ≥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 |
| assay | ≥99% |
| autoignition temp. | 433 °F |
| bp | 98 °C (lit.) |
| color | APHA: ≤10 |
| density | 0.684 g/mL at 25 °C (lit.) |
| evapn. residue | <0.0002% |
| expl. lim. | 7 % |
| form | liquid |
| grade | biotech. grade |
| greener alternative category | Aligned  |
| greener alternative product characteristics | Safer Solvents and Auxiliaries Learn more about the Principles of Green Chemistry . |
| impurities | <0.005% water |
| 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 |
| SMILES string | CCCCCCC |
| solubility | acetone: miscible(lit.) |
| carbon tetrachloride: soluble(lit.) | |
| ethanol: very soluble(lit.) | |
| water: insoluble(lit.) | |
| UV absorption | λ: 197 nm Amax: 1.00 |
| λ: 210 nm Amax: 0.40 | |
| λ: 220 nm Amax: 0.15 | |
| λ: 230 nm Amax: 0.05 | |
| λ: 260-400 nm Amax: 0.01 | |
| vapor density | 3.5 (vs air) |
| vapor pressure | 40 mmHg ( 20 °C) |
| 83 mmHg ( 37.7 °C) |
| Application: | Greener alternatives to Hexane. |
| Application: | Heptane (n-Heptane) may be used: • To compose a solvent mixture with diethyl ether for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC. • To generate of 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: | Heptane (n-Heptane) is an alkane hydrocarbon. It is a primary reference fuel (PRF) employed for determining the octane number of fuels in internal combustion engines. Its cetane number and octane number has been reported to be 56 and 0 respectively. 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). |
| Other Notes: | A -D suffix exists for administrative purposes only. All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D. |
| Packaging: | 1 L in Sure/Seal™ |
| 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 | ≥99% |
| bp | 98 °C (lit.) |
| mp | −91 °C (lit.) |
| Density | 0.684 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352001 |