Heptane
SIGALD/32287 - puriss. p.a., reag. Ph. Eur., ≥99% n-heptane basis (GC)
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.
| agency | reag. Ph. Eur. |
| USP/NF | |
| application(s) | microbiology |
| assay | ≥99% n-heptane basis (GC) |
| autoignition temp. | 433 °F |
| bp | 98 °C (lit.) |
| cation traces | Al: ≤0.5 mg/kg |
| B: ≤0.02 mg/kg | |
| Ba: ≤0.1 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.05 mg/kg | |
| Co: ≤0.02 mg/kg | |
| Cr: ≤0.02 mg/kg | |
| Cu: ≤0.02 mg/kg | |
| Fe: ≤0.1 mg/kg | |
| Mg: ≤0.1 mg/kg | |
| Mn: ≤0.02 mg/kg | |
| Ni: ≤0.02 mg/kg | |
| Pb: ≤0.1 mg/kg | |
| Sn: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 0.684 g/mL at 25 °C (lit.) |
| expl. lim. | 7 % |
| form | liquid |
| grade | puriss. p.a. |
| greener alternative category | Aligned  , |
| greener alternative product characteristics | Safer Solvents and Auxiliaries Learn more about the Principles of Green Chemistry . |
| impurities | ≤0.0005% free acid (as CH3COOH) |
| ≤0.001% non-volatile matter | |
| ≤0.005% S-compounds (as S) | |
| ≤0.01% water (Karl Fischer) | |
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h |
| InChI key | IMNFDUFMRHMDMM-UHFFFAOYSA |
| mp | −91 °C (lit.) |
| Quality Level | 200 |
| refractive index | n |
| n |
|
| SMILES string | CCCCCCC |
| suitability | passes test for reaction against H2SO4 |
| sustainability | Greener Alternative Product |
| vapor density | 3.5 (vs air) |
| vapor pressure | 40 mmHg ( 20 °C) |
| 83 mmHg ( 37.7 °C) |
| Application: | Greener alternatives to Hexane. |
| Application: | Heptane may be used in the following studies: • To compose the water/sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/n-heptane microemulsions, employed for the synthesis of ZnS nanoparticles. • As a solvent for various solid n-paraffins. • Sterol quantification method (SQM) for the determination of total intracellular ergosterol in Aspergillus fumigatus extracts. |
| 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 and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here  for more information.Heptane (n-Heptane) is a linear hydrocarbon. 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. |
| Other Notes: | Pertains only in Germany: unversteuert |
| Other Notes: | The article number 32287-4X2.5L will be discontinued. Please order the single bottle 32287-2.5L which is physically identical with the same exact specifications. The article number 32287-4X2.5L-M will be discontinued. Please order the single bottle 32287-2.5L-M which is physically identical with the same exact specifications. The article number 32287-6X1L will be discontinued. Please order the single bottle 32287-1L which is physically identical with the same exact specifications. The article number 32287-6X1L-M will be discontinued. Please order the single bottle 32287-1L-M which is physically identical with the same exact specifications. |
| 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% n-heptane basis (GC) |
| bp | 98 °C (lit.) |
| mp | −91 °C (lit.) |
| Density | 0.684 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352001 |