N-Heptane
CAS Number: 142-82-5
Chemical Formula: C7H16
Synonyms: Eptani, Exxsol heptane
Appearance: Colorless liquid
HS Code: 29011000
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
n-Heptane has nine structural isomers, with normal heptane (CH3(CH2)5CH3) being the most significant. It is a colorless, flammable liquid. It is nearly insoluble in water, slightly soluble in ethanol, and soluble in diethyl ether and chloroform. Its vapor can form explosive mixtures with air, with an explosive range of 1.0–6.0% by volume. It is derived from petroleum distillate fractions. When burned and detonated inside engine cylinders, it produces strong knocking. Its octane rating is defined as zero. Blends of n-heptane and iso-octane (octane rating = 100) in various ratios are widely used as reference fuels to measure the octane ratings of gasoline.
Parameters
| Parameter | Value |
| Melting point | −91 °C(lit.) |
| Boiling point | 98 °C(lit.) |
| density | 0.684 g/mL at 20 °C |
| vapor density | 3.5 (vs air) |
| vapor pressure | 40 mm Hg ( 20 °C) |
| refractive index | n20/D 1.397 |
| Fp | 30 °F |
| storage temp. | Store at +5°C to +30°C. |
| solubility | acetone: miscible(lit.) |
| form | Liquid |
| pka | >14 (Schwarzenbach et al., 1993) |
| Specific Gravity | 0.684 (20/4℃) |
| color | ≤10(APHA) |
| Odor | Gasoline. |
| Relative polarity | 0.012 |
| explosive limit | 1-7%(V) |
| Odor Threshold | 0.67ppm |
| Water Solubility | practically insoluble |
| λmax | 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 |
| Merck | 14,4659 |
| BRN | 1730763 |
| Henry’s Law Constant | 0.901, 1.195, and 1.905(atm·m³/mol) at 26.0, 35.8, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995) |
| Exposure limits | NIOSH REL: TWA 85 ppm (350 mg/m³ ), 15-min ceiling 440 ppm (1,800 mg/m³ ), IDLH 750 ppm; OSHA PEL: TWA 500 ppm (2,000 mg/m³ ); ACGIH TLV: TWA 400 ppm, STEL 500 ppm (adopted). |
| Dielectric constant | 1.9（20℃） |
| Stability: | Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air. |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| LogP | 4.660 |
| Surface tension | 21.12mN/m at 293.15K |
| CAS DataBase Reference | 142-82-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Heptane(142-82-5) |
| EPA Substance Registry System | Heptane (142-82-5) |
| Absorption | 0.10 at 225nm 0.40 at 210nm 1.0 at 197nm |
Safety Information
| Item | Details |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62-23 |
| RIDADR | UN 1206 3/PG 2 |
| OEB | A |
| OEL | TWA: 85 ppm (350 mg/m3), Ceiling: 440 ppm (1800 mg/m3) [15-minute] |
| WGK Germany | 3 |
| RTECS | MI7700000 |
| F | 3-10 |
| Autoignition Temperature | 433 °F |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29011000 |
| Hazardous Substances Data | 142-82-5(Hazardous Substances Data) |
| Toxicity | LC (2 hr in air) in mice: 75 mg/l (Lazarew) |
| IDLA | 750 ppm |
Product Application of n-Heptane CAS#142-82-5
It is mainly used as a reference standard for octane number measurement. It also serves as an anesthetic, a solvent, a raw material for organic synthesis, and a component in preparing laboratory reagents.
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