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Hexane structure
Hexane structure


Iupac Name:hexane
CAS No.: 110-54-3
Molecular Weight:86.17536
Modify Date.: 2022-10-31 16:16
Introduction: Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing. View more+
1. Names and Identifiers
1.1 Name
1.2 Synonyms

n-Hexane NSC 68472 NSC68472 Skellysolve B

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C6H14 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
3.1 Density
3.1 Melting point
3.1 Boiling point
3.1 Refractive index
3.1 Flash Point
3.2 Precise Quality
3.2 PSA
3.2 logP
3.2 Solubility
Very soluble in ethanol, ethyl ether and chloroform.
3.3 Viscosity
3.26X10-4 Pa-s at 20 deg C
3.4 VaporDensity
2.97 (NTP, 1992) (Relative to Air)
3.5 Appearance
Colorless liquid with a gasoline-like odor
3.6 Atmospheric OH Rate Constant
5.61e-12 cm3/molecule*sec
3.7 Storage
hexane should be used only in areas free of ignition sources, andquantities greater than 1 liter should be stored in tightly sealed metal containers inareas separate from oxidizers.
3.8 Autoignition Temperature
437 °F (USCG, 1999)
3.9 Carcinogenicity
Male rabbits exposed to3000 ppm hexane (8 h/day, 6 days/week for 24 weeks)developed papillary proliferation of nonciliated bronchiolarcells. No tumors were found in mice painted withhexane and croton oil as cocarcinogen, presumably for thelifetime of each animal. Hexane is inactive as a tumorpromotingagent.
3.10 Chemical Properties
n-Hexane is a highly flammable liquid, usually isolated from crude oil, and has extensive industrial applications as a solvent in adhesive bandage factories and other industries.
3.11 Physical Properties
Clear, colorless, very flammable liquid with a faint, gasoline-like odor. An odor thresholdconcentration of 1.5 ppmv was reported by Nagata and Takeuchi (1990).
3.12 Color/Form
Colorless, very volatile liquid.
3.13 Decomposition
When heated to decomposition it emits acrid smoke and fumes.
3.14 Flammability and Explosibility
Hexane is extremely flammable (NFPA rating = 3), and its vapor can travel aconsiderable distance to an ignition source and "flash back." Hexane vapor formsexplosive mixtures with air at concentrations of 1.1 to 7.5 % (by volume). Hydrocarbons of significantly higher molecular weight have correspondingly highervapor pressures and therefore present a reduced flammability hazard. Carbondioxide or dry chemical extinguishers should be used for hexane fires.
3.15 Heat of Combustion
4163.2 kJ/mol
3.16 Heat of Vaporization
31.56 kJ/mol at 25 deg C
3.17 Ionization Potential
10.18 eV
3.18 Odor
Gasoline-like odor
3.19 Odor Threshold
0.0064 mg/l
3.20 pKa
>14 (Schwarzenbach et al., 1993)
3.21 Water Solubility
3.22 Spectral Properties
Index of refraction: 1.375 @ 20 deg C
3.23 Stability
Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
3.24 StorageTemp
Store at RT.
3.25 Surface Tension
17.89 mN/m at 25 deg C
3. Use and Manufacturing
4.1 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.
4.2 Definition
ChEBI: An unbranched alkane containing six carbon atoms.
4.3 Potential Exposure
n-Hexane is industrial chemical, emul sifier, in manufacture of plastics, resins; as a solvent, par ticularly in the extraction of edible fats and oils; as alaboratory reagent; and as the liquid in low temperaturethermometers. Technical and commercial grades consist of45 85% hexane, as well as cyclopentanes, isohexane, and1% to 6% benzene.
4.4 Purification Methods
Purify as for n-heptane. Modifications include the use of chlorosulfonic acid or 35% fuming H2SO4 instead of conc H2SO4 in washing the alkane, and final drying and distilling from sodium hydride. Unsaturated impurities can be removed by shaking the hexane with nitrating acid (58% H2SO4, 25% conc HNO3, 17% water, or 50% HNO3, 50% H2SO4), then washing the hydrocarbon layer with conc H2SO4, followed by H2O, drying, and distilling over sodium or n-butyl lithium. It can also be purified by distillation under nitrogen from sodium benzophenone ketyl solubilised with tetraglyme. Also purify it by passage through a silica gel column followed by distillation [Kajii et al. J Phys Chem 91 2791 1987]. It is a FLAMMABLE liquid and a possible nerve toxin. [Beilstein 1 IV 338.] Rapid purification: Distil, discarding the first forerun and stored over 4A molecular sieves.
4.5 Shipping
UN1208 Hexanes, Hazard Class: 3; Labels:3-Flammable liquid.
4.6 Usage
Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing.
4.7 Waste Disposal
Dissolve or mix the materialwith a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. Hexane Preparation Products And Raw materials Raw materials
4. Safety and Handling
5.1 Symbol
GHS02, GHS07, GHS08, GHS09
5.1 Hazard Codes
5.1 Signal Word
5.1 Risk Statements
5.1 Safety Statements
5.1 Exposure Standards and Regulations
Hexane is an indirect food additive for use only as a component of adhesives.
5.2 Packing Group
5.2 Octanol/Water Partition Coefficient
log Kow= 3.90
5.3 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Products that have been treated with materials containing n-hexane may ... be dangerous during the evaporation stage. They must be left to dry in suitable places under a hood and not in the ordinary workplace.
Employees should wash promptly when skin is wet or contaminated. Remove clothing immediately if wet or contaminated to avoid flammability hazard.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
Evacuation: ... If material leaking (not on fire) consider evacuation from downwind area based on amt of material spilled, location and weather conditions.
Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amt of water or soap and water.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard.
Adequate ventilation should be provided and smoking prohibited. There should be no sources of sparks or heat, and electrical equipment should be designed according to a recognized explosion-proof standard.
5.4 Hazard Class
5.4 Hazard Declaration
5.4 Cleanup Methods
In the event of spillage, naked flames, sparks, and heat should be avoided; approved, efficient, protective clothing and respirators should be provided. Small-scale spillage should be absorbed on paper towels or sawdust; sand or earth can be used for larger spills. Fire-fighting foam can be used in large spillages to reduce evaporation. If possible, liquid spills should be recovered for recycling.
5.5 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Hexane may be disposed of by atomizing in a suitable combustion chamber.
Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent. Recommendable methods: Incineration, open burning, use as a boiler fuel, & evaporation. Not recommendable method: Landfill. Peer review: Care. Highly flammable. Evaporate only small amt. (Peer-review conclusions of an IRPTC expert consultation (May 1985))
The International Register of Potentially Toxic Chemicals recommends: "Incineration, open burning, use as a boiler fuel, evaporation. Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent. Care, highly inflammable, evaporate only small amounts. Landfill is not recommended".
5.6 DOT Emergency Guidelines
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixture containing a high percentage of an alcohol or polar solvent, alcohol-resistant foam may be more effective. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Use water spray or fog; do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Hexanes/
UN 1208
5.7 Fire Fighting Procedures
Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. Extinguish with dry chemical, foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water.
Stop discharge if possible. Keep people away. Shut off ignition sources and call fire department. Stay upwind and use water spray to "knock down" vapor. Isolate and remove discharged material. Notify local health and pollution control agencies.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.
To fight fire, use carbon dioxide, dry chemical.
Flashback along a vapor trail may occur, since the vapor is heavier than air. Fire extinguishers containing carbon dioxide, dry chemical, or foam are recommended. Water sprays should not be used, since these may cause the fire to spread, though a water spray can be used to cool containers.
5.8 FirePotential
Flammable. Flashback along vapor trail may occur.
Flammable liquid. A very dangerous fire and explosion hazard when exposed to heat or flame...
Flammable, dangerous fire risk.
5.9 Caution Statement
P201-P210-P273-P301 + P310-P308 + P313-P331
5.9 Formulations/Preparations
The technical grade is a mixture of approx 50% n-hexane and 50% isohexane and cyclohexane. Impurities are benzene (0.001%) and other aromatics (0.01%). Component of light petroleum products such as gasoline.
85%, 95%, 99%, spectro, research, and nanograde.
5.10 WGK Germany
5.10 RTECS
5.10 Protective Equipment and Clothing
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Respirator Recommendations: Up to 500 ppm: (Assigned protection factor = 10) Any supplied-air respirator. Substance reported to cause eye irritation or damage; may require eye protection.
Respirator Recommendations: Up to 1100 ppm: (Assigned protection factor = 25) Any supplied-air respirator operated in a continuous flow mode. Substance reported to cause eye irritation or damage; may require eye protection./ (Assigned protection factor = 50) Any self-contained breathing apparatus with a full facepiece.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned protection factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode/ (Assigned protection factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape: (Assigned protection factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/ Any appropriate escape-type, self-contained breathing apparatus.
5.11 Reactivities and Incompatibilities
Strong oxidizers.
...Can react vigorously with oxidizing materials.
Mixtures with dinitrogen tetraoxide may explode at 28 deg C
During kinetic studies, one sample of a 1:1 molar soln of tetraoxide in hexane exploded during (normally slow) decomp at 28 deg C.
5.12 Skin, Eye, and Respiratory Irritations
... Irritation of eyes and nose; dermatitis; aspiration of liquid may cause chemical pneumonia.
Hexane is an irritant to the skin.
5.13 Safety

Hazard Codes of n-Hexane (CAS NO.110-54-3):?FlammableF,HarmfulXn,DangerousN
Risk Statements: 11-50/53-65-67-62-51-48/20-36/37/38
11: Highly Flammable?
50/53:?Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment?
65: Harmful: May cause lung damage if swallowed?
67:?Vapors may cause drowsiness and dizziness?
62:?Possible risk of impaired fertility??
R51: Toxic to aquatic organisms.
48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation?
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 9-16-29-33-60-61-62--45-36/37/39-53
9: Keep container in a well-ventilated place?
16: Keep away from sources of ignition - No smoking?
29:?Do not empty into drains?
33:?Take precautionary measures against static discharges?
60: This material and/or its container must be disposed of as hazardous waste?
61: Avoid release to the environment. Refer to special instructions safety data sheet?
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label?
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)?
36/37/39:?Wear suitable protective clothing, gloves and eye/face protection?
53: Avoid exposure - obtain special instruction before use
RIDADR: UN 3295 3/PG 2
WGK Germany: 3
F: 3-10: ?Hygroscopic. Keep under argon.
HazardClass: 3
PackingGroup: II

5.14 Specification

?In 2001, the U.S. Environmental Protection Agency issued regulations on the control of emissions of hexane gas due to its potential carcinogenic properties and environmental concerns.

5.15 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 190ppm/8W (190ppm) PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH American Journal of Industrial Medicine. Vol. 10, Pg. 111, 1986.
mouse LCLo inhalation 120gm/m3 (120000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC


Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929.
mouse LDLo intravenous 831mg/kg (831mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rabbit LDLo intravenous 132mg/kg (132mg/kg) ? Haematologica. Vol. 58, Pg. 491, 1973.
rat LC50 inhalation 48000ppm/4H (48000ppm) ? Annual Review of Pharmacology and Toxicology. Vol. 22, Pg. 145, 1982.
rat LD50 oral 25gm/kg (25000mg/kg) ? Industrial Health. Vol. 32, Pg. 145, 1994.
rat LDLo intraperitoneal 9100mg/kg (9100mg/kg) ? Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.


2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin irritation, Category 2

Aspiration hazard, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H225 Highly flammable liquid and vapour

H315 Causes skin irritation

H304 May be fatal if swallowed and enters airways

H336 May cause drowsiness or dizziness

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.


P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

P308+P313 IF exposed or concerned: Get medical advice/ attention.


P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Usage
n-Hexane is used as a solvent to extract edible oils from seed and vegetable crops. Commercial grades of hexane are used as solvents for glues, varnishes, and inks, cleaning agent (degreaser) in the printing industry, liquid in low temperature thermometers. Other uses are as fuels and fuel additives, intermediates and laboratory chemicals.
9.1 Usage
n-Hexane is used as a solvent, paint thinner, and chemical reaction medium. It is used to extract edible oils from seeds and vegetables, as a special-use solvent, and as a cleaning agent. Hexanes are commonly used in chromatography as a non-polar solvent.
9.2 Usage
Pesticide residue, environmental and GC analysis.n-Hexane is used in spectrophotometry and environmental testing. It is used as a solvent to extract edible oils from seed and vegetable crops. Commercial grades of hexane are used as solvents for glues, varnishes, and inks, cleaning agent (degreaser) in the printing industry, liquid in low temperature thermometers. other uses are as Fuels and fuel additives, Intermediates and Laboratory chemicals.
9.3 Usage
as a solvent to extract edible oils from seed and vegetable crops. Commercial grades of hexane are used as solvents for glues, varnishes, and inks, cleaning agent (degreaser) in the printing industry, liquid in low temperature thermometers. other uses are as Fuels and fuel additives, Intermediates and Laboratory chemicals.
9.4 Usage
n-Hexane used in spectrophotometry and environmental testing.
9.5 Usage
n-Hexane is?used in the formulation of?glues?for shoes, leather products, and roofing, as a cleaning agent, de-greasing agent. It is used to extract edible oils from seeds and vegetables, a non-polar solvent in chromatography.
10. Computational chemical data
  • Molecular Weight: 86.17536g/mol
  • Molecular Formula: C6H14
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 86.109550447
  • Monoisotopic Mass: 86.109550447
  • Complexity: 12
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • Heavy Atom Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
11. Question & Answer
  • C4H10 has two isomers : diethyl a straight alkane CH3CH2CH2CH3 and trimethyl-methane (CH3)3CH CH5H12 has three isomers n-pentane (C2H5)2CH2 a straight chain 2-methyl -butane (CH3)2CH-CH-C2H6 or iso-pentane and neo-pentane (CH3)4C ( my favorite) or 2.2 dimethyl propane C6H12 has five isomers CH3-(CH...
  • A supercritical fluid is just a state of matter. like solid, liquid or gas. Hexane is no more or less toxic if it has become supercritical and then brought back to standard temperature and pressure, as would water, if it changed from liquid to ice or to supercritical "steam" and back to water. Furt...
  • Active for what reaction? In general, alkanes, even cyclic alkanes, are not very active. (Halogenation and combustion are the exceptions).
  • I'm working on a prototype for a new machine, and I'm trying to get solvents like 99.9 % " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" 99.9 % 99.9 % isopropyl alcohol or n -hexane to be carbonated like a soda pop at cold temperatures. I have the ...
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13. Realated Product Infomation