N-HEPTANE
CAS No. 142-82-5
Definition
Heptane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. Heptane has 9 isomers, or 11 if enantiomers are counted. (Wikipedia)
Important Natural Compounds, Substances of Biological Interest, Food Toxin, Household Toxin, Industrial/Workplace Toxin, Natural Toxin, Plant Toxin
Description
N-Heptane is found in cardamom. Heptane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. Heptane has 9 isomers, or 11 if enantiomers are counted. (Wikipedia) N-Heptane belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
Application: n-Heptane is a straight-chain alkane consisting of seven carbons that is widely used as a completely non-polar solvent. n-Heptane is sometimes chosen as a less toxic option to the traditional hexane in appropriate processes. In liquid form, n-Heptane is very easy to transport and store.
Compatibility: Heptane is incompatible with strong oxidizing agents. It should not be stored near ignition sources and avoid excessive heat and confined spaces. Please see SDS for full safety and compatibility information.
Packaging Options: Typically available in drums, Isotanks, and bulk. Contact us or ask your representative for further information.
| CAS Number: | 142-82-5 |
| | |
| Molecular Formula: | C7H16 |
| | |
| Molecular Weight: | 100.21 |
| Purity: | 99% |
| Bp: | 98° |
| Density: | 0.684 |
| Refractive Index: | 1.387 |
| Signal Word: | Danger |
| Hazard Statements: | H225, H304, H315, H336, H410 |
| Precautionary Statements: | P210, P261, P273, P281, P301 + P310, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P312, P331, P332 + P313 |
| UN#: | UN1206 |
| Packing Group: | II |
| Hazard Class: | 3 |
| Flash Point: | -4° |
| RTECS: | MI7700000 |
| Risk Statements: | 11-38-50/53-65-67 |
| Safety Statements: | 9-16-29-33-60-61-62 |
Heptane Chemical Properties,Uses,Production
Chemical Properties
n-Heptane is a flammable liquid, present in crude oil and widely used in the auto- mobile industry. For example, as a solvent, as a gasoline knock testing standard, as automotive starter fl uid, and paraffi nic naphtha. n-Heptane causes adverse health effects in occupational workers, such as CNS depression, skin irritation, and pain. Other compounds such as n-octane (CH 3 (CH 2 ) 6 CH 3 ), n-nonane (CH 3 (CH 2 ) 7 CH 3 ), and n-decane (CH 3 (CH 2 ) 8 CH 3 ) have different industrial applications. Occupational workers exposed to these compounds also show adverse health effects. In principle, manage- ment of these aliphatic compounds requires proper handling and disposal to avoid health problems and to maintain chemical safety standards for safety to workers and the living environment.
Chemical Properties
n-Heptane is a clear liquid which is highly flammable and volatile with a mild, gasoline-like odor. The odor threshold is 40 547 ppm; also reported @ 230 ppm.
Physical properties
Clear, colorless, very flammable liquid with a faint, pleasant odor resembling hexane or octane. Based on a triangle bag odor method, an odor threshold concentration of 670 ppbv was reported by Nagata and Takeuchi (1990).
Uses
Suitable for HPLC, spectrophotometry, environmental testing
Uses
As standard in testing knock of gasoline engines.
Uses
heptane is a solvent and viscosity-decreasing agent.
Definition
A colorless liquid alkane obtained from petroleum refining. It is used as a solvent.
Definition
heptane: A liquid straight-chainalkane obtained from petroleum,C7H16; r.d. 0.684; m.p. -90.6°C; b.p.98.4°C. In standardizing octanenumbers, heptane is given a valuezero.
Production Methods
Heptane is produced in refining processes. Highly purified heptane is produced by adsorption of commercial heptane on molecular sieves.
Synthesis Reference(s)
Tetrahedron Letters, 3, p. 43, 1962 DOI:10.1007/BF01499754
General Description
Clear colorless liquids with a petroleum-like odor. Flash point 25°F. Less dense than water and insoluble in water. Vapors heavier than air.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
HEPTANE is incompatible with the following: Strong oxidizers .
Hazard
Toxic by inhalation. Flammable, dangerous fire risk.
Health Hazard
VAPOR: Not irritating to eyes, nose or throat. If inhaled, will cause coughing or difficult breathing. LIQUID: Irritating to skin and eyes. If swallowed, will cause nausea or vomiting.
Fire Hazard
FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area.
Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Potential Exposure
n-Heptane is used in graphics, textiles, adhesives, and coatings; as an industrial solvent and in the petroleum refining process; as a standard in testing knock of gasoline engines.
Source
Schauer et al. (1999) reported heptane in a diesel-powered medium-duty truck exhaust at an emission rate of 470 g/km.
Identified as one of 140 volatile constituents in used soybean oils collected from a processing plant that fried various beef, chicken, and veal products (Takeoka et al., 1996).
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of heptane was 28.9 mg/kg of pine burned. Emission rates of heptane were not measured during the combustion of oak and eucalyptus.
California Phase II reformulated gasoline contained heptane at a concentration of 9,700 mg/kg.
Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 1.82 and 268 mg/km, respectively (Schauer et al., 2002).
Environmental Fate
Biological. Heptane may biodegrade in two ways. The first is the formation of heptyl hydroperoxide, which decomposes to 1-heptanol followed by oxidation to heptanoic acid. The other pathway involves dehydrogenation to 1-heptene, which may react with water forming 1- heptanol (Dugan, 1972). Microorganisms can oxidize alkanes under aerobic conditions (Singer and Finnerty, 1984). The most common degradative pathway involves the oxidation of the terminal methyl group forming the corresponding alcohol (1-heptanol). The alcohol may undergo a series of dehydrogenation steps forming heptanal followed by oxidation forming heptanoic acid. The acid may then be metabolized by β-oxidation to form the mineralization products, carbon dioxide and water (Singer and Finnerty, 1984). Hou (1982) reported hexanoic acid as a degradation product by the microorganism Pseudomonas aeruginosa.
Photolytic. The following rate constants were reported for the reaction of hexane and OH radicals in the atmosphere: 7.15 x 10-12 cm3/molecule?sec (Atkinson, 1990). Photooxidation reaction rate constants of 7.19 x 10-12 and 1.36 x 10-16 cm3/molecule?sec were reported for the reaction of heptane with OH and NO3, respectively (Sablji? and Güsten, 1990). Based on a photooxidation rate constant 7.15 x 10-12 cm3/molecule?sec for heptane and OH radicals, the estimated atmospheric lifetime is 19 h in summer sunlight (Altshuller, 1991).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. Heptane will not hydrolyze because it has no hydrolyzable functional group.
Shipping
UN1206 Heptanes, Hazard Class: 3; Labels: 3-Flammable liquid.
Incompatibilities
May form explosive mixture with air. Strong oxidizers may cause fire and explosions. Attacks some plastics, rubber and coatings. May accumulate static electric charges that can ignite its vapors.
Waste Disposal
Dissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
eneral Information
- Metabolism: Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
- Uses/Sources: Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
- Health Effects: Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
- Symptoms: Heptane affects the central nervous system and may cause lightheadedness, giddiness, stupor, vertigo, incoordination, loss of appetite, nausea, and unconsciousness. Direct skin contact with heptane may cause pain, burning, and itching. (T29)
- Treatment: Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
- Route of Exposure: Oral (T29) ; inhalation (T29) ; dermal (T29)
- Carcinogenicity: N-Heptane is found in gasoline, which is possibly carcinogenic to humans (Group 2B). (L135)
- Toxicity: LD50: 222 mg/kg (Intravenous, Mouse) (T14) LC50: 75 g/m3 over 2 hours (Inhalation, Mouse) (T14)