Heptane
n-Heptane
CAS: 142-82-5
Molecular Formula: C7H16
Heptane - Names and Identifiers
| 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 |
Heptane - Physico-chemical Properties
| 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 |
Heptane - Risk and Safety
| 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) |
Heptane - Upstream Downstream Industry
Heptane - Nature
Open Data Verified Data
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.
Last Update：2025-06-10 22:55:16
Heptane - Preparation Method
Open Data Verified Data
The industrial grade n-heptane can be purified by a method such as concentrated sulfuric acid washing and methanol azeotropic distillation.
Last Update：2022-01-01 09:25:37
Heptane - Application
Open Data Verified Data
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.
Last Update：2025-08-19 16:24:40
Heptane - Safety
Open Data Verified Data
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.
Last Update：2022-01-01 09:25:38
Heptane - Uses and production methods
Use extraction solvent.
It is mainly used as a standard for the determination of octane number, and can also be used as a raw material for anesthetics, solvents and organic synthesis
Use as analytical reagent and solvent
Used as analytical reagent, gasoline engine knock test standard, chromatographic analysis reference substance, solvent. The product can stimulate the respiratory tract and has an anesthetic effect at high concentrations. Flammable, the limit concentration of explosive mixture formed in air is 1.0-6.0% (volume).
Use biochemical research, protein sequence analysis. Determination of ozone and triglyceride. Analysis of pesticide residues. Spectroscopic, fluorescence analysis. Standard fuel for determining anti-knock performance of gasoline.
Use
N-heptane can be used for biochemical research, protein sequence analysis. Determination of ozone, three glycerides. Analysis of pesticide residues. Spectroscopic, fluorescence analysis. Standard fuel for determining anti-knock performance of gasoline.
production method the content of n-heptane in the fraction of platinum reforming extract (93-102 ℃) reaches more than 57%, and the n-alkane in the gas phase adsorption group of 5A molecular sieve is used, and then the n-alkane is separated by steam desorption. After nickel catalytic hydrogenation, a small amount of n-olefins are saturated and converted into n-alkanes, and the iodine value is reduced to 0.1g iodine/100g or less. Finally, standard n-heptane with a purity of 99.9% was obtained by rectification. Industrial-grade n-heptane purification can also use concentrated sulfuric acid washing, methanol azeotropic distillation and other methods.
Production method Hydrocarbon fraction of petroleum. It can contain n-heptane, dimethylcyclopentane, 3-ethylpentane, methylcyclohexane and 3-methylcyclohexane.
Last Update：2024-04-10 22:29:15
Heptane - Toxicity
Category flammable liquids
Toxicity grading poisoning
Acute toxicity inhalation-mouse LC50: 75000 mg/m3/2 hours; Intravenous-mouse LD50: 222 mg/kg
The dangerous characteristics of explosives can be exploded by mixing with air
The hazardous characteristics of flammability are flammable when exposed to open flames, high temperatures, and oxidants; combustion produces stimulating smoke
Storage and transportation characteristics The warehouse is ventilated and dry at low temperature; it is stored separately from oxidants and acids
Fire extinguishing agent dry powder, carbon dioxide, foam
Occupational standard TWA 1600 mg/m3; STEL 2000 mg/m3
Last Update：2024-04-10 22:29:15
Heptane - Application and Preparation
Introduction
There are nine isomers of n-heptane, of which n-heptane [CH3(CH2)5CH3] is the most important. Colorless flammable liquid. Almost insoluble in water, slightly soluble in alcohol, soluble in ether and chloroform. Vapor and air form an explosive mixture, and the explosion limit is 1.0 ~ 6.0% (volume). It is separated from the petroleum fraction. The vibration is violent when burning and exploding in the cylinder. Its octane number is set to zero. Mixtures in various proportions with * isooctane (octane number is set as 100) are often used as standards for determining the octane number of gasoline.
Application of n-heptane is a typical non-polar solvent. It is often used as a standard for determining octane number, anesthetics, organic synthesis raw materials, etc., in medicine, pesticides, rubber synthesis, chemical fiber synthesis, reagents, electronic cleaning and other industries It is also widely used. n-octane is used as a solvent and chromatographic analysis standard substance, and also used in organic synthesis. With the rapid development of chemical industry, medicine, electronics and other related industries, the demand for n-heptane in China will increase year by year, especially high purity n-heptane has broad market prospects.
Uses n-heptane is mainly used as a standard and solvent for octane number determination, as well as for organic synthesis and preparation of experimental reagents. N-heptane is one of the hydrocarbon solvents widely used in industry today. It is used as an extraction solvent for animal and vegetable fats, as well as a quick-drying rubber glue and rubber solvent. It is also used to make cosmetics and as a solvent for cleaning coatings, paints, quick-drying inks and printing machine parts. Industrial-grade n-heptane is mostly obtained by separation of petroleum fractions with low purity.
Preparation
(1) The raw material n-heptane with purity of about 98% is raised to the top of the silica gel adsorption column. The specifications of the adsorption column are: the length is 1.5m, the inner diameter is 3.2cm, and the amount of silica gel is 4/5 of the column length. The column flows into the column by gravity, and the flow rate is controlled to be 50mL ~ 80mL/min, so that the organic solvent is fully contacted with the silica gel, and the alkane and aromatic hydrocarbon impurities are adsorbed, remove the initial effluent (about 200~500 ml), because the impurities in the silica gel will be brought out at the beginning, and the effluent will be detected.
(2) the qualified n-heptane liquid is flowed into the diatomite adsorption column. the diatomite adsorption column is the same as the silica gel adsorption column. the diatomite adsorption column is contacted with an organic solvent to adsorb carbonyl compounds and other impurities and separate them from it. the flow rate is 50mL ~ 80mL/min, and the absorbance of the liquid is close to the index. The applicant has conducted several tests on the adsorption column (silica gel, diatomite) used in the above two steps. The results show that the combined use of the two adsorbents is more effective. After adsorption by two-stage adsorption column, the content of n-heptane is ≥ 99%.
(3) the n-heptane effluent in step (2) is dried by a drying column, the desiccant in the drying column is anhydrous calcium chloride or calcium hydride, and the water content of the dried effluent is 0.01% to 0.05%. if it is greater than the 0.05%, the desiccant is regarded as saturated with water, and the desiccant is replaced and then dried. After drying anhydrous calcium chloride or calcium hydride, the water content reaches 0.01% ~ 0.05%.
(4) The dried effluent is pumped into the reactor for rectification, and electric heating is used to control the heating temperature to 140 ℃ ~ 200 ℃, the temperature of n-heptane liquid in the reactor is 100 ℃ ~ 110 ℃, and the effluent temperature is 98 ℃ ~ 99 ℃; The reflux ratio is 10: 5~8, and the reflux ratio is gradually adjusted to 10: 12~15, and finally the chromatographic grade n-heptane product is obtained; Distillate according to the determined process conditions, control the distillation temperature and reflux ratio, and after removing the previous fraction, all the n-heptane prepared meets the requirements of chromatographic indexes.
(5) the qualified finished product is filtered and bottled with 0.45 μm microporous filter membrane, and stored under nitrogen protection.
Industrial heptane is produced from high-quality light hydrocarbons in oil fields by continuous distillation process. Its main components are n-heptane, isoheptane and cycloheptane, and also contain a small amount of octane and hexane. It is liquid at normal temperature and pressure, flammable and volatile.
Isomer 2-methylhexane; 3-methylhexane; 2, 2-dimethylpentane
2, 3-dimethylpentane; 3, 3-dimethylpentane; 2, 4-dimethylpentane; 3-ethylpentane; 2,2, 3-trimethylbutane
toxicity ADI is limited to GMP (FAO/WHO,2001).
Chemical properties
N-heptane is a colorless flammable liquid with petroleum odor.
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for Heptane
Downstream Products for Heptane
Fenvalerate
Ethacrynic acid
6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBONITRILE
2-CHLORO-5-FLUOROISONICOTINIC ACID
8-Aminoisoquinoline
5-Amino-2-chloropyrimidine
4,6-Dimethylpyrimidine-5-carboxylic acid
(2-METHOXY-1-METHYL-ETHYL)-HYDRAZINE
4,6-Diamino-2-pyrimidinol
1-Nonanol
2-Chloro-5-nitropyrimidine
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
3-ISOPROPOXYPHENYLBORONIC ACID
2,4,6-TRICHLOROPYRIMIDIN-5-AMINE
2,4,6-TRICHLORO-5-NITROPYRIMIDINE
2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Ziegler catalyst、Phillips catalyst
Phenylsulfenylchloride
titanium trichloride/aluminum dialkyl chloride
Ethacrynic acid
6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBONITRILE
2-CHLORO-5-FLUOROISONICOTINIC ACID
8-Aminoisoquinoline
5-Amino-2-chloropyrimidine
4,6-Dimethylpyrimidine-5-carboxylic acid
(2-METHOXY-1-METHYL-ETHYL)-HYDRAZINE
4,6-Diamino-2-pyrimidinol
1-Nonanol
2-Chloro-5-nitropyrimidine
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
3-ISOPROPOXYPHENYLBORONIC ACID
2,4,6-TRICHLOROPYRIMIDIN-5-AMINE
2,4,6-TRICHLORO-5-NITROPYRIMIDINE
2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Ziegler catalyst、Phillips catalyst
Phenylsulfenylchloride
titanium trichloride/aluminum dialkyl chloride