Name | Hexane |
Synonyms | Hexane OXFORD n-Hexane n-Hexane4x1L MARQUIS TEST KIT n-Hexane, Environmental Hexane mixture of isomers n-Hexane, Spectrophotometric |
CAS | 110-54-3 92112-69-1 |
EINECS | 203-777-6 |
InChI | InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
InChIKey | VLKZOEOYAKHREP-UHFFFAOYSA-N |
Molecular Formula | C6H14 |
Molar Mass | 86.18 |
Density | 0.659 g/mL at 25 °C(lit.) |
Melting Point | -95 °C |
Boling Point | 68.95°C(lit.) |
Flash Point | 30°F |
Water Solubility | insoluble |
Solubility | Very soluble in ethanol, ethyl ether and chloroform. |
Vapor Presure | 40 mm Hg ( 20 °C) |
Vapor Density | 3.5 (vs air) |
Appearance | Liquid |
Specific Gravity | 0.660 (20/4℃) |
Color | Colorless |
Odor | Mild gasoline-like odor detectable at 65 to 248 ppm |
Exposure Limit | TLV-TWA 50 ppm (~175 mg/m3) (ACGIH),500 ppm (~1750 mg/m3) (OSHA); IDLH5000 ppm (NIOSH). |
Maximum wavelength(λmax) | ['λ: 200 nm Amax: ≤0.70', , 'λ: 225 nm Amax: ≤0.10', , 'λ: 250 nm Amax: ≤0.01'] |
Merck | 14,4694 |
BRN | 1730733 |
pKa | >14 (Schwarzenbach et al., 1993) |
Storage Condition | Store at +5°C to +30°C. |
Stability | Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. |
Explosive Limit | 1.0-8.1%(V) |
Refractive Index | n20/D 1.388 |
Physical and Chemical Properties | A colorless, volatile liquid with a weak, specific odor. |
Use | Used in solvents, extraction, organic synthesis, such as cleaning for the electronics industry, as extractant in the pharmaceutical industry, extraction of edible vegetable oils, etc |
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 R62 - Possible risk of impaired fertility R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R48/20 - R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S9 - Keep container in a well-ventilated place. 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. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S53 - Avoid exposure - obtain special instructions before use. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
UN IDs | UN 3295 3/PG 2 |
WGK Germany | 3 |
RTECS | MN9275000 |
FLUKA BRAND F CODES | 3-10 |
TSCA | Yes |
HS Code | 29011000 |
Hazard Class | 3 |
Packing Group | II |
Toxicity | LC50 (4 hr) in mice by inhalation: 48000 ppm; LD50 orally in rats: 32.0 g/kg (Couri, Milks) |
Raw Materials | Petroleum benzin |
Downstream Products | Pyridaben |
relative polarity | 0.009 |
olfactory Threshold | 1.5ppm |
Henry's Law Constant | 0.238, 0.413, 0.883, 0.768, and 1.56 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworthet al., 1988) |
LogP | 4 at 20℃ and pH7 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Overview | n-hexane alias hexane, molecular formula C6H14, molecular weight of 86.2, belongs to straight chain saturated aliphatic hydrocarbons, obtained by cracking and fractionation of crude oil. Appearance is colorless with a volatile oil flavor, volatile liquid, melting point (MP) of 95 ° C, boiling point of 68.95 ° C, vapor density of 2.97 (Air = 1), almost insoluble in water, soluble in chloroform, ether, ethanol. N-hexane is an organic solvent, commonly used in rubber, pharmaceutical, perfume, shoes, leather, textile, furniture, paint and other production processes. In recent years, n-hexane as a dilute agent for the production of adhesives, or as an organic detergent, has become the main culprit of the group of occupational n-hexane poisoning events in China. |
hydrocarbons | n-hexane is a naturally occurring hydrocarbon in petroleum and one of the main components of petroleum ether and naphtha. It is a colorless transparent liquid at room temperature, with a slight oil odor. Volatile, vapor is heavier than air. And air to form an explosive mixture, the explosion limit of 1.18% ~ 7.4% (volume fraction). N-hexane is widely used as edible oil extraction solvent, rubber solvent, artificial leather finishing agent, precision device cleaning agent, clothing detergent, pharmaceutical tablet detergent and mixed solvent. People with acute poisoning in 5000ppm, subjective symptoms of vertigo. In high concentrations can stimulate the eyes, nose and throat mucosa, anesthesia. Animal experiments showed that rats inhaled 400 ~ 600ppm of n-hexane, 45~69 days of the occurrence of left and right symmetry foot drop, nerve fiber hyperplasia. A portion of n-hexane is metabolized in vivo to produce 2-hexanone (methyl butyl ketone) and 2, 5-hexanedione. It is generally believed that such metabolites can hinder the transport of substances within nerve fibers, resulting in nerve damage. When mixed exposure, ethyl methyl ketone can enhance the toxicity of n-hexane, while toluene can reduce its toxicity, and other substances can easily change the toxicity of n-hexane. The maximum allowable concentration in the air of the working environment is 100ppm (360mg/m3) in Japan and 50ppm(180mg/m3) in the United States. The maximum allowable concentration of the isomer is 500ppm(1800mg/m3). there are 4 kinds of isomers in n-hexane, which are colorless, volatile and flammable liquid alkanes with weak special odor. 2-methylpentane (iso-hexane), 3-methylpentane, 2, 3-dimethylbutane (diisopropyl), 2, 2-dimethylbutane (neo-hexane). |
function and purpose | n-hexane is an organic solvent with good viscosity, which is commonly used in rubber food, pharmacy, perfume, footwear, tape, Balling, grinding, leather, textile, furniture, paint industry, or for dilution, or for cleaning solvents, or for glue. In addition, it can be a solvent for extracting seed oil (seed-oil) (such as soybean oil, cottonseed oil, flax oil, peanut, safflower oil, etc.); It can also be a raw material for manufacturing polymers; such as polypropylene (polypropylene), polyethylene (polyethylene). |
n-hexane poisoning and health hazards | adverse effects and symptoms of short-term exposure to n-hexane: inhalation or exposure to more than Head Pain mg/kg can result. Acute Diarrhea, face fever, numbness and weakness of fingers and toes. Exposure to more than Nausea mg/kg can also cause, rhinitis and laryngitis. In addition to the above symptoms, exposure to more than 1500mg/kg can cause blurred vision, loss of appetite, and weight loss. Most symptoms disappear within a few months if the exposure is stopped. Aspiration of liquid n-hexane into the lungs can cause Pneumonia. Occupational chronic n-hexane poisoning is a systemic disease mainly caused by nervous system damage due to long-term exposure to n-hexane gas in the production environment. Industrial products in hexane often contain a certain amount of benzene, toluene and other organic matter, vegetable oil extraction, synthetic rubber, polyethylene film printing and other industries can be exposed to hexane solvent. After entering the human body, it mainly affects the energy metabolism of the central nervous system, causing nerve fiber degeneration, leading to neurasthenia syndrome and autonomic nerve dysfunction. The main clinical manifestations were distal limb touch, pain, hypothermia, decreased muscle strength or limb paralysis. At present, there is no unified diagnostic criteria in China, mild patients should be separated from the n-hexane operation as soon as possible, moderate patients generally can be cured, severe patients can leave lifelong disability. In 1957, Italy was the first to report the case of toxic peripheral nerve damage occurred in the shoe industry; In 1968, Japanese scholars reported that the production of plastic sandal workers caused nearly a hundred people of peripheral nerve damage group incidence due to exposure to n-hexane; since then, the United States, Canada, Brazil, South Africa and China's Taiwan, Hong Kong and other places have also been reported chronic n-hexane poisoning. Since the 80 s of last century, our country almost every year there are groups of n-hexane chronic poisoning, especially in recent years, the rapid development of production and processing industry in coastal areas, in the production of shoes, electronic components, in the field of luggage production and other fields, n-hexane chronic poisoning, as a representative disease of organic solvent occupational poisoning, has repeatedly caused serious violations to the health of workers. |
toxicity | when the boiling point is 62~82 ℃, ADI is limited to GMP (FAO/WHO,2001). |
usage limit | GMP. |
Use | used in solvents, extraction, organic synthesis, cleaning in electronics industry, as extractant in pharmaceutical industry, it is also the extractant of edible vegetable oil used in solvent, extraction and organic synthesis, such as cleaning in electronic industry, extractant in pharmaceutical industry, extractant of edible vegetable oil and so on extraction solvent. mainly used as solvent, such as vegetable oil extraction solvent, propylene polymerization solvent, rubber and coating solvent, pigment diluent. For soybean, rice bran, cottonseed and other edible oils and spices in the extraction of oils and fats. In addition, it is a high-octane fuel. solvent. Determination of water in methanol. Ultraviolet Spectrum analysis. Pesticide residue analysis. High performance liquid chromatography. Standard for gas chromatographic analysis. Biochemical studies, protein sequence analysis. Mineral refractive index was measured. Organic Synthesis. Instead of mercury in the thermometer. used as analytical reagent and solvent |
production method | the content of n-hexane in straight-run gasoline, Platinum Reforming raffinate or wet natural gas is about 1-15%. At present, industrial production is mainly separated from the raffinate oil (containing hexane 11%-13%) of the Platinum Reforming Unit. The raffinate oil is separated by distillation to remove light components and reconstituted to obtain a fraction containing 60%-80% of n-hexane. Double-column continuous rectification is adopted, and then hydrogenation is carried out with 0501 type catalyst to remove benzene and other unsaturated hydrocarbons, and qualified n-hexane is obtained. The United States also uses the adsorption separation method to prepare n-hexane. obtained by fractionation in petroleum fractions (see section 19313). |
category | flammable liquid |
toxicity grade | low toxicity |
Acute toxicity | oral-rat LD50:28710 mg/kg; Inhalation-mouse LCL0: 120000 mg/m3 |
stimulation data | eye-rabbit 10 mg mild |
explosive hazard characteristics | explosive when mixed with air |
flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
extinguishing agent | dry powder, carbon dioxide, foam |
Occupational Standard | TWA 180 mg/m3 |
spontaneous combustion temperature | 225°C |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
immediate life-and health-threatening concentrations | 1,100 ppm [10% LEL] |
Number |
toxicity type |
test methods |
test object |
dose |
toxic effects |
1 |
Acute |
Inhalation |
Human |
190 ppm/8W |
Peripheral Nerve and Sensation - structural change in nerve or sheath |
2 |
Acute |
oral |
Rodent - rat |
25 mg/kg |
1.Details of toxic effects not reported other than lethal dose value |
3 |
Acute |
Inhalation |
Rodent - rat |
48000 ppm/4H |
1.Details of toxic effects not reported other than lethal dose value |
4 |
Acute |
Intraperitoneal |
Rodent - rat |
9100 mg/kg |
1.Details of toxic effects not reported other than lethal dose value |
5 |
Acute |
Inhalation |
Rodent - mouse |
120 gm/m3 |
1. Behavioral toxicity Behavi oral-general anestetic 2. Lung, chest, or respiratory toxicity Lungs, Thorax, or Respiration - respiratory depression 3. Cardiotoxicity Cardiac - other changes |
6 |
Acute |
Intravenous |
Rodent - mouse |
831 mg/kg |
1. Behavioral toxicity Behavi oral-altered sleep time (including change in right reflex) |
7 |
Acute |
Intravenous |
Rodent - rabbit |
132 mg/kg |
1.Details of toxic effects not reported other than lethal dose value |
8 |
MutipleDose |
Inhalation |
Rodent - rat |
2000 ppm/12H/24W-I |
1. Spinal Cord neurotoxicity. Peripheral neurotoxicity peripheral Nerve and Sensation - recording from Peripheral motor nerve 3. Biochemical-chemical (intermediate)-other proteins |
9 |
MutipleDose |
oral |
Rodent - rat |
40 mg/kg/4W-I |
1. Nutritional and Metabolic system toxicity nutritical and Gross Metabolic - weight loss or degraded weight gain |
10 |
MutipleDose |
Inhalation |
Rodent - rat |
1000 ppm/24H/11W-C |
1. Brain and coverage-recordings from specific areas of CNS 2. Behavioral toxicity Behavi oral-muscle weakness 3. Nutritional and Metabolic system toxicity nutrional and Gross metaspic-weight loss or degraded weight gain |
11 |
MutipleDose |
Inhalation |
Rodent - rat |
1 pph/6H/13W-I |
1. Brain and coverage-changes in brain weight 2. Nutritional and Metabolic system toxicity nutritical and Gross |
12 |
MutipleDose |
Inhalation |
Rodent - rat |
476 ppm/6H/4W-I |
1. Lung, chest, or respiratory toxicity Lungs, Thorax, or Respiration - other changes 2. Biochemical-environmental inhibition, induction, or change in blood or tissue levels-phosphatases 3. Biochemical-environmental inhibition, induction, or change in blood or tissue levels-dehydrogenases |
13 |
MutipleDose |
Inhalation |
Rodent - rat |
3000 ppm/6H/2Y-I |
1. Nutritional and Metabolic system toxicity nutritical and Gross Metabolic - weight loss or degraded weight gain |
14 |
MutipleDose |
Inhalation |
Rodent - rat |
500 ppm/24H/9W-C |
1. Peripheral neurotoxicity Peripheral Nerve and Sensation - spastic trauma with or without sensory change 2. Nutritional and Metabolic system toxicity nutrional and Gross metaspic-weight loss or degraded weight gain |
15 |
MutipleDose |
Intraperitoneal |
Rodent - rat |
18900 mg/kg/35D-I |
1. Peripheral neurotoxicity Peripheral Nerve and Sensation - recording from afferent nerve 2. Peripheral neurotoxicity peripheral Nerve and Sensation - recording from Peripheral motor nerve 3. Nutritional and Metabolic system toxicity nutrional and Gross metaspic-weight loss or degraded weight gain |
16 |
MutipleDose |
Intraperitoneal |
Rodent - rat |
4788 mg/kg/7D-I |
1. Hepatotoxicity Liver - other changes 2. Blood toxicity Blood - changes in serum composition (e. G. TP, bilirubin, cholesterol) 3. Biochemical-Environmental effects |
17 |
MutipleDose |
Inhalation |
Rodent - rat |
1200 ppm/12H/16W-I |
1. Peripheral neurotoxicity peripheral Nerve and Sensation - recording from Peripheral motor nerve 2. Nutritional and Metabolic system toxicity nutrional and Gross Metabolic - weight loss or degraded weight gain 3. Biochemical-chemical (intermediate)-other proteins |
18 |
MutipleDose |
Inhalation |
Rodent - mouse |
10000 ppm/6H/13W-I |
1. Sense orgians and Special Senses (olface)-effect, not otherwise specified 2. Behavioral toxicity Behavi oral-changes in motor activity (specific assay) 3. Blood toxicity Blood - changes in other cell count (unspecified) |
19 |
MutipleDose |
Intraperitoneal |
Bird - chicken |
18 mg/kg/90D-I |
1. Peripheral neurotoxicity Peripheral Nerve and Sensation - structural change in nerve or sheath 2. Behavioral toxicity Behavi oral-ataxia 3. Chronic disease-Related toxicity Related to Chronic Data - death |
20 |
SkinEyeIrrition |
Administration into the eye |
Rodent - rabbit |
10 mg |
1.Mild |
21 |
Mutation |
Yeast - Saccharomyces cerevisiae |
132 mmol/L |
||
22 |
Mutation |
Rodent - hamster Fibroblast |
500 mg/L |
||
23 |
Tumorigenic |
Inhalation |
Rodent - rat |
1000 ppm/4H/59W-I |
1. Carcinogenicity Tumorigenic-Carcinogenic by RTECS criteria 2. Reproductive toxicity Reproductive-Tumorigenic effects-testular tubular |
24 |
Tumorigenic |
Inhalation |
Rodent - mouse |
9018 ppm/6H/2Y-I |
1. Carcinogenicity Tumorigenic-neoplastic by RTECS criteria 2. Hepatotoxicity Liver - tumors |
25 |
Reproductive |
Inhalation |
Rodent - rat |
10000 ppm/7H,female 15 day(s) pre-mating |
Reproductive toxicity productive - Effects on Newborn - behavioral |
26 |
Reproductive |
Inhalation |
Rodent - rat |
1000 ppm/6H,female 8-16 day(s) after conception |
Reproductive toxicity productive - Effects on Newborn - growth statistics (e. G.%, reduced weight gain) |
27 |
Reproductive |
Inhalation |
Rodent - rat |
5000 ppm/20H,female 6-19 day(s) after conception |
Reproductive toxicity productive - Effects on Embrio or Fetus-fetotoxicity (except death, E. G., cracked fetus) |
28 |
Reproductive |
oral |
Rodent - mouse |
238 mg/kg,female 6-15 day(s) after conception |
Reproductive toxicity productive - Effects on Embrio or Fetus-fetotoxicity (except death, E. G., cracked fetus) |
There are five isomers of hexane.
Common name | IUPAC naming | structure: |
---|---|---|
hexane, n-hexane |
hexane | CH3(CH2)4CH3 |
isohexane | 2-methylpentane | (CH3)2CH(CH2)2CH3 |
3-methylpentane | CH3CH2CH(CH3)CH2CH3 | |
2, 3-dimethylbutane | CH3CH(CH3)CH(CH3)CH3 | |
New hexane | 2, 2-dimethylbutane | CH3C(CH3)2CH2CH3 |
Its linear compound Is n-hexane CH3(CH2)4CH3.
hexane is extremely flammable and its vapor forms an explosive mixture with air. It is highly flammable and explosive when exposed to open flame and high heat. A strong reaction occurs in contact with the oxidant and even causes combustion. In a fire scene, a heated container is at risk of explosion. Its vapor is heavier than air, and it can diffuse to a fairly far place at a lower point, and it will lead back to ignition in the event of an open flame. The products of combustion are carbon dioxide, water, and carbon monoxide (carbon monoxide is produced during incomplete combustion).
The chemical equation for complete combustion of hexane is: 2C6H14 19O2=12CO2 14H2O (condition ignition)
like other alkanes, hexane can also undergo substitution reaction with halogen (F, Cl, Br, I), and there are many kinds of Substituted compounds. Therefore, hexane must be stored away from halogens (e. G., fluorine, chlorine, bromine, iodine).
1. The platinum-Cobalt stock solution for color development (see No.1 of GT-11-1) is 500 to, and this solution (No.10) is used to compare with sample in Nessler's colorimetric tube, the sample should not be deeper than the control solution.
2. Heavy metal a sample of 25ml (about 20g) was evaporated to dryness on a steam bath, cooled, added with 2ml of hydrochloric acid and evaporated to dryness on a steam bath. Add a drop of hydrochloric acid wet, add 10ml of hot water, hydrolysis for 2min, cooling, water volume to 25ml, as a sample solution, according to the GT-16 method.
3. Non-volatile residue a sample of 125ml (about 100g) was taken. In a constant weight evaporation dish, it was evaporated to dryness on a steam bath. The residue was dried at 105 °c for 30min, cooled and weighed.
The Spice oleoresin was 25, and the hop extract was 2.2. Cocoa butter 5(FAO/WHO,1994).
generally should be made before the final product out, with the exception of the provisions of the residues in food
colorless volatile liquid. Insoluble in water, soluble in ethanol, soluble in ether, chloroform, ketones and other organic solvents.
The raffinate oil (containing 11% to 13% of hexane) of the platinum reformer was separated. The raffinate oil is fractionated and separated to remove light components and recombine to obtain a fraction containing 60%-80% of n-hexane. The double column continuous distillation is adopted, and then the catalyst is hydrogenated to remove benzene and other unsaturated hydrocarbons, and qualified n-hexane is obtained.
It is mainly used as a solvent, such as propylene polymerization solvent, rubber and coating solvent, pigment diluent. For soybean, rice bran, cottonseed and other edible oils and spices in the extraction of oils and fats. High-octane fuel.
mice inhaled 4H LCsa:48000 x 10-6; Rats oral LD50: 32. N-hexane is low toxic, but its toxicity is greater than that of octyl hexane, and it has high volatility, high fat solubility, and accumulation. The toxic effect is a mild inhibitory effect on the central nervous system and a stimulating effect on the skin and mucosa. Splash into the eye can cause symptoms of conjunctival irritation. Long-term exposure can lead to multiple peripheral neuropathy. Staff should be protected. If the skin and eyes are touched, they should be immediately rinsed with plenty of flowing water.