Name | n-Heptane |
Synonyms | Heptane n-Heptane Heptyl hydride Dipropylmethane n-Heptane? Normal heptane |
CAS | 142-82-5 |
EINECS | 205-563-8 |
InChI | InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
Molecular Formula | C7H16 |
Molar Mass | 100.202 |
Density | 0.695g/cm3 |
Melting Point | -91℃ |
Boling Point | 98.8°C at 760 mmHg |
Flash Point | 30 °F |
Water Solubility | practically insoluble |
Solubility | acetone: miscible(lit.) |
Vapor Presure | 45.2mmHg at 25°C |
Appearance | Liquid |
Specific Gravity | 0.684 (20/4℃) |
Color | ≤10(APHA) |
Odor | Gasoline. |
Exposure Limit | 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). |
Maximum wavelength(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. |
Merck | 14,4659 |
BRN | 1730763 |
pKa | >14 (Schwarzenbach et al., 1993) |
Storage Condition | Store at +5°C to +30°C. |
Stability | Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air. |
Explosive Limit | 1-7%(V) |
Refractive Index | 1.394 |
Physical and Chemical Properties | appearance colorless volatile liquid relative vapor density (Air = 1):3.45 saturated vapor pressure (KPa):5.33(22.3 ℃) combustion heat (kj/mol):4806.6 critical temperature (℃) 201.7 critical pressure (MPa):1.62 ignition temperature (℃) 204 Upper Explosive limit%(V/V):6.7 lower explosive limit%(V/V):1.1 |
Use | Mainly used as a standard for the determination of octane number, but also can be used as anesthetics, solvents and raw materials for organic synthesis, the preparation of experimental reagents |
Hazard Symbols | F - Flammable Xn - Harmful N - Dangerous for the environment |
Risk Codes | R11 - Highly Flammable R38 - Irritating to the skin R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R65 - Harmful: May cause lung damage if swallowed R67 - Vapors may cause drowsiness and dizziness |
Safety Description | S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S9 - Keep container in a well-ventilated place. |
UN IDs | UN 1206 |
WGK Germany | 3 |
RTECS | MI7700000 |
FLUKA BRAND F CODES | 3-10 |
TSCA | Yes |
HS Code | 29011000 |
Hazard Class | 3 |
Packing Group | II |
Toxicity | LC (2 hr in air) in mice: 75 mg/l (Lazarew) |
colorless volatile liquid. Insoluble in water, soluble in alcohol, miscible in ether, chloroform. Its vapor and air to form an explosive mixture, fire, high heat caused by combustion explosion. A strong reaction with an oxidizing agent can occur.
The industrial grade n-heptane can be purified by a method such as concentrated sulfuric acid washing and methanol azeotropic distillation.
used as analytical reagents, gasoline knock test standards, chromatographic analysis of reference substances, solvents. It can be used as a standard for the determination of octane number, and can also be used as a solvent, a solvent and a raw material for organic synthesis.
mice injected intravenously with LD50: 222mg/kg; Mice inhaled 2H LCso: 75000mg/m3. The substance is harmful to the environment, can cause pollution to water and atmosphere, in the important human food chain, especially in fish biological accumulation. Heptane can cause dizziness, Nausea, anorexia, gait, and even loss of consciousness and state of rigidity. Store in a cool, ventilated warehouse. Extremely vulnerable to fire. Keep away from fire and heat source. The bin temperature should not exceed 30 ℃. Protection from direct sunlight. Keep the container sealed. Should be stored separately from the oxidant.