化工社化工社化学信息打印报告 · 仅供科研参考
正己烷
已烷 · 己烷 · 二丙基 · 正己烷 · 己烷类 · 正已烷 · 混合烷烃 · 无水己烷
标识与物理属性
| CAS No. | 110-54-3 |
|---|---|
| 分子式 | C6H14 |
| 平均分子量 | 86.18 g/mol |
| 单同位素质量 | 86.10955045 g/mol |
| SMILES | CCCCCC |
| InChIKey | VLKZOEOYAKHREP-UHFFFAOYSA-N |
| PubChem CID | 8058 |
| ChEMBL | CHEMBL15939 |
| ChEBI | CHEBI:29021 |
| EC No. | 203-777-6 |
| DTXSID | DTXSID0021917 |
| 中文名 | 正己烷 |
化学与物理性质
| XLogP | 3.9 |
|---|---|
| 极性表面积 | 0 |
| 氢键供体 | 0 |
| 氢键受体 | 0 |
| 可旋转键 | 3 |
| 重原子 | 6 |
| 形式电荷 | 0 |
| 复杂度 | 12 |
| LogP（油水分配系数） | log Kow = 3.90 |
| 气味 | Gasoline-like odorMild gasoline-like odor detectable at 65 to 248 ppm |
| 密度 | 0.659 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6606 g/cu cm at 25 °CRelative density (water = 1): 0.70.6606 @25 °C0.659 g/mL at 25 °C(lit.) |
| Viscosity | 0.377 cP at 15 °C3.26X10-4 Pa-s at 20 °C1.4 mm²/s |
| Color/Form | LiquidColorless, very volatile liquid |
| 溶解性 | less than 1 mg/mL at 61.7 °F (NTP, 1992)In water, 9.5 mg/L at 25 °C9.5 to 13 mg/L at 20 °C in distilled water, 75.5 mg/L at 20 °C in salt waterVery soluble in ethanolsoluble in ethyl ether, chloroformMiscible with alcohol, chloroform, and ether0.0095 mg/mL at 25 °CVery soluble in ethanol, ethyl ether and chloroform.insoluble |
| 闪点 | -9.4 °F (NTP, 1992)-7 °F-7 °F (-22 °C) (Closed cup)-22 °C c.c.30 °F |
| 沸点 | 156 °F at 760 mmHg (NTP, 1992)68.73 °C68.70 °C. @ 760.00 mm Hg69 °C68.73 °C @760 [mm Hg]68.95 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| 熔点 | -139 °F (NTP, 1992)-95.35 °C-93.5 °C-95 °C |
| 蒸气密度 | 2.97 (NTP, 1992) - Heavier than airwill sink (Relative to Air)2.97 (Air = 1)Relative vapor density (air = 1): 3.03.5 (vs air) |
| 嗅觉阈值 | Odor Threshold Low: 65.0 [ppm]Odor Threshold High: 248.0 [ppm]Odor threshold from AIHA0.0064 mg/l |
| 蒸气压 | 40 mm Hg ( 20 °C) |
| 折射率 | n20/D 1.388 |
| 储存条件 | Store at +5°C to +30°C. |
| 形态 | Liquid |
| pKa（酸度系数） | >14 (Schwarzenbach et al., 1993) |
| 比重 | 0.660 (20/4℃) |
| 颜色 | Colorless |
| pH | 7 |
| 相对极性 | 0.009 |
| 嗅觉阈值 | 1.5ppm |
| 爆炸极限 | 1.0-8.1%(V) |
| 热导率 | 0.12 W/(m·K) at 25 ℃ |
| 比热容 | Cp(liquid): 2.27 J/(g·K), at 25℃ |
| 最大波长(λmax) | λ: 200 nm Amax: ≤0.70λ: 225 nm Amax: ≤0.10λ: 250 nm Amax: ≤0.01 |
| Merck | 14,4694 |
| BRN | 1730733 |
| 亨利常数 | 0.238, 0.413, 0.883, 0.768, and 1.56 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988) |
| 暴露限值 | ACGIH:TLV-TWA 50 ppm (176 mg/m3)OSHA:PEL-TWA 500 ppm (1800 mg/m3)NIOSH:REL-TWA 50 ppm |
| 介电常数 | 2.0(-90℃) |
| 稳定性 | Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. |
| 化妆品成分功效 | SOLVENTVISCOSITY CONTROLLING |
| InChI | 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| InChIKey | VLKZOEOYAKHREP-UHFFFAOYSA-N |
| SMILES | CCCCCC |
| LogP（油水分配系数） | 4 at 20℃ and pH7 |
| 表面张力 | 18.52mN/m at 293.15K |
| CAS 数据库 | 110-54-3(CAS DataBase Reference) |
| NIST化学物质信息 | Hexane(110-54-3) |
| EPA化学物质信息 | Hexane (110-54-3) |
化学性质
无色易挥发液体。 难溶于水，可溶于乙醇，易溶于乙醚、氯仿、酮类等有机溶剂。
安全与法规
| GHS 分类 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]H315: Causes skin irritation [Warning Skin corrosion/irritation]H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]H361f ***: Suspected of damaging fertility [Warning Reproductive toxicity]H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 4001) of reports. |
|---|---|
| 法规信息 | Chemical: HexaneChemical: Hexane, branched and linearHazard Traits - Environmental toxNeurotoxicityReproductive ToxicityAuthoritative List - ATSDR NeurotoxicantsCA TACsCWA 303(d)IRIS NeurotoxicantsOEHHA RELsProp 65Report - regardless of intended function of ingredient in the productRegulation (EC) No 178/2002 (amended)Hexane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15741 |
| 其他安全信息 | IMAP assessments - n-Hexane: Human health tier II assessment |
| 运输标签（DOT） | Flammable Liquid |
| 火灾危害 | Behavior in Fire: Vapors may explode (USCG, 1999)· 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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Runoff to sewer may create fire or explosion hazard.· Containers may explode when heated.· Many liquids will float on water.· Substance may be transported hot.· For hybrid vehicles, GUIDE 147 (lithium ion or sodium ion batteries) or GUIDE 138 (sodium batteries) should also be consulted.· If molten aluminum is involved, refer to GUIDE 169.Highly flammable. Vapour/air mixtures are explosive. |
| 火灾可能性 | 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. |
| 健康危害 | INHALATION causes irritation of respiratory tract, cough, mild depression, cardiac arrhythmias. ASPIRATION causes severe lung irritation, coughing, pulmonary edemaexcitement followed by depression. INGESTION causes nausea, vomiting, swelling of abdomen, headache, depression. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.· 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 asphyxiation, especially when in closed or confined areas.· Runoff from fire control or dilution water may cause environmental contamination. |
| 危害概述 | n-Hexane is a chemical made from crude oil. Pure n-Hexane is a colorless liquid with a slightly disagreeable odor. It is highly flammable, and its vapors can be explosive. Puren-Hexane is used in laboratories. Most of then-Hexane used in industry is mixed with similar chemicals called solvents. The major use for solvents containing n-Hexane is to extract vegetable oils from crops such as soybeans. These solvents are also used as cleaning agents in the printing, textile, furniture, and shoemaking industries. Certain kinds of special glues used in the roofing and shoe and leather industries also contain n-Hexane. Several consumer products containn-Hexane, such as gasoline, quick-drying glues used in various hobbies, and rubber cement. .Hexane is used to extract edible oils from seeds and vegetables, as a special-use solvent, and as a cleaning agent. Acute (short-term) inhalation exposure of humans to high levels of hexane causes mild central nervous system (CNS) effects, including dizziness, giddiness, slight nausea, and headache. Chronic (long- term) exposure to hexane in air is associated with polyneuropathy in humans, with numbness in the extremities, muscular weakness, blurred vision, headache, and fatigue observed. Neurotoxic effects have also been exhibited in rats. No information is available on the carcinogenic effects of hexane in humans or animals. EPA has classified hexane as a Group D, not classifiable as to human carcinogenicity.Acute exposure to 5000 ppm produces giddiness within 10 minutes and 30,000 ppm produces narcosis within 30-60 minutes. [ACGIH] Peripheral neuropathy is the main long-term adverse effect, and it has been observed after exposures in the range of 400 ppm for 45 days or 30 ppm for 2 months to 5 years. [CHEMINFO] n-Hexane is in the list of Some volatile substances which may be abused by inhalation published on the web site of the U.N. International Drug Control Programme, indicating its potential to cause narcosis in workers. [Reference #1] Vehicle repair technicians developed peripheral neuropathy while using an aerosol cleaner containing hexane, acetone, and toluene. Acetone and methyl ethyl ketone amplify the neurotoxicity of n-Hexane. [Reference #2] A skin irritantIngestion can cause aspiration into the lungsInhalation may cause lowering of consciousnessProlonged or repeated exposure may cause polyneuropathyMay have adverse effects on human reproduction, based on animal studies[ICSC] A skin and eye irritantInhalation may cause drowsiness or dizzinessAn aspiration hazard by ingestion (may cause lung injury)Prolonged or repeated exposure may cause organ injurySuspected reproductive toxicant and teratogenTargets the peripheral nervous system, kidney, and testes[Sigma-Aldrich MSDS] |
| 运输编号与指南（DOT） | 1208 128 |
| FDA 要求 | Hexane is an indirect food additive for use only as a component of adhesives. |
| 反应性基团 | Hydrocarbons, Aliphatic Saturated |
| 联合国分类 | UN Hazard Class: 3UN Pack Group: II |
| Special Reports | Couri D, Milks MAnnu Rev Pharmacol Toxicol 22: 145-66 (1982). This is a review and discussion with 93 references on the toxicity and metab of hexacarbons incl hexane.WHOEnvironmental Health Criteria 122: n-Hexane (1991)DHHS/NTPReport on the Toxicity Studies of n-Hexane in B6C3F1 Mice (Inhalation Studies) NTP TOX2 (1991) NIH Pub No. 91-3121 |
| 消防 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. (ERG, 2024)Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 急救措施 | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Rest. Refer immediately for medical attention. |
| 泄漏应急措施 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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 Spill· Dike far ahead of liquid spill for later disposal.· Water spray may reduce vapor, but may not prevent ignition in closed spaces. |
| 急救 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. Volatile chemicals have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· Wash skin with soap and water.(General first aid procedures)Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.Skin: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.Breathing: Respiratory supportSwallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately. |
| 安全储存 | Store only in original container. Fireproof. Separated from strong oxidants. Well closed. Ventilation along the floor. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. |
| 暴露控制与个人防护 | · Wear positive pressure self-contained breathing apparatus (SCBA).· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.Biological Exposure Indices (BEI) [ACGIH] - 2,5-Hexanedione (without hydrolysis) in urine = 0.5 mg/L end of shift50.0 [ppm] |
| 灭火程序 | 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. |
| 储存条件 | Drums should be stored in a well-ventilated area in fire-resistant containers. Metal containers should be electrically-grounded, when liquid is being transferred.Safe Storage: Fireproof. Separated from strong oxidants. Well closed. |
| 清理方法 | In the event of spillage, naked flames, sparks, and heat should be avoidedapproved, efficient, protective clothing and respirators should be provided. Small-scale spillage should be absorbed on paper towels or sawdustsand 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. |
| 非火灾泄漏应对 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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 SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024) |
| 处置方法 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.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".SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal. |
| 泄漏处置 | Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| 毒理学资料 | CDC-ATSDR Toxicological Profile |
| 体内负荷 | n-Hexane was detected in 8 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville PA and Baton Rouge LA(1). The air expired from humans contained n-hexane in 6.9% of the 387 samples collected from 54 subjects(2). The average n-hexane concentration of 4.7 ng/L was expressed as the geometric mean with upper and lower limits of 13.5 and 1.63 ng/L, respectively(2). |
| 相互作用 | To study the protective effects of garlic oil (GO) on the peripheral nerve injuries induced by n-hexane. Male Wistar rats were randomly divided into four groups (10 rats in each group): the control, the n-hexane treatment (2000 mg/kg), the low dose GO, and the high dose GO groups. The rats in the low and high doses of GO groups were pretreated with GO (40 and 80 mg/kg) before exposure to n-hexane (2000 mg/ kg), while the animals of the n-hexane treatment group were given normal saline and then 2000 mg/ kg n-hexane. The rats were exposed to GO and n-hexane 6 times a week for 10 weeks. The gait scores and staying time on the rotating rod for all rats were detected every two weeks. The rats were sacrificed at the end of ten weeks, then the levels of alcohol dehydrogenase (ADH), maleic dialdehyde (MDA), reduced glutathione (GSH), glutathione peroxidase (GSH-Px), total antioxidation capacity (T-AOC) and the ability of inhibition of OH in livers were examined. The gait scores increased significantly and the time staying on the rotating rod obviously decreased in rats of n-hexane treatment group, as compared with control group (P < 0.05 or P < 0.01). In the hepatic tissues of n-hexane group, the levels of MDA and ADH significantly increased, the activities of GSH-Px, T-AOC and the ability of inhibition of OH obviously decreased, as compared to control group (P < 0.05 or P < 0.01). In 2 GO groups, the gait scores and the staying time on the rotating rod were significantly improved, the levels of MDA and ADH significantly decreased, the activities of GSH-Px, T-AOC and the ability of inhibition of OH obviously increased, as compared with n-hexane group (P < 0.05 or P < 0.01). ADH could play an important role in the protective effects induced by garlic oil on the peripheral nerve injuries produced by n-hexane.Four separate groups of 5 rats each were exposed to 1000 ppm n-hexane, 1000 ppm n-hexane plus 1000 ppm toluene, 1000 ppm n-hexane plus 1000 ppm methyl ethyl ketone (MEK), or fresh air. Distributions of n-hexane metabolites in the mixed exposure group were ... similar to that of an n-hexane-alone group. The amount of metabolites decreased to approximately 1/6 of that in the n-hexane group by co-exposure with toluene and to approximately 1/4 by co-exposure with MEK. Toluene decr the neurotoxicity of n-hexane by the inhibition of n-hexane metabolism.Toluene at 1000 ppm exerted an antagonistic effect on n-hexane neurotoxicity in rats exposed to 1000 ppm n-hexane 12 hr/day for 16 wk. While 1000 ppm n-hexane considerably impaired the function of peripheral nerves, as measured by nerve conduction velocities in the rat tail, the combined exposure resulted in only slight impairment.n-Hexane ... potentiates chloroform toxicity.For more Interactions (Complete) data for N-HEXANE (6 total), please visit the HSDB record page. |
| 靶器官 | Neurological (Nervous System), Respiratory (From the Nose to the Lungs)Eyes, skin, respiratory system, central nervous system, peripheral nervous system |
| 健康影响 | Hexane mainly affects the nervous system. It causes degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. Exposure to hexane may also damage the lungs and reproductive system. (L977, L978) |
| 生态毒性数值 | LC50Species: GoldfishConcentration: 4 mg/L for 24 hr /Conditions of bioassay not specified/EC50Species: Chlamydomonas angulosa (Green Algae) age 3-4 days, exponential growth phase 5x10+4 cells/mLConditions: static, 19 °C, pH 6.5Concentration: 94 mmol/cu m for 3 hrEffect: physiology, photosynthesis /formulation/Species: Chlorella vulgaris (Green Algae) age 3-4 days, exponential growth phase 20x10+4 cells/mLConcentration: 149 mmol/cu m for 3 hrSpecies: Artemia salina (Brine Shrimp) naupliiConditions: saltwater, static, 20 °CConcentration: 41 mmol/cu m for 24 hr /> or =97% purity formulation/For more Ecotoxicity Values (Complete) data for N-HEXANE (10 total), please visit the HSDB record page. |
| 环境归趋 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a structure estimation method(2), indicates that n-hexane is expected to have high mobility in soil(SRC). Volatilization of n-hexane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.80 atm-cu m/mole(SRC), based upon its vapor pressure, 153 mm Hg(3), and water solubility, 9.5 mg/L(4). n-Hexane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Utilizing the Japanese MITI test, 100% of the Theoretical BOD was reached in 4 weeks(5) suggesting that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a structure estimation method(2), indicates that n-hexane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.80 atm-cu m/mole(SRC), derived from its vapor pressure, 153 mm Hg(4), and water solubility, 9.6 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.7 hours and 3.7 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 170(SRC), from its log Kow of 3.90(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Utilizing the Japanese MITI test, 100% of the Theoretical BOD was reached in 4 weeks(9) suggesting that biodegradation is an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-hexane, which has a vapor pressure of 153 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-hexane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 24 hours(SRC), calculated from its rate constant of 5.61X10-12 cu cm/molecule-sec at 25 °C(3). n-Hexane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 食品调查数值 | n-Hexane was identified as a volatile component of roasted filberts(1) and chickpeas(2). |
| 不良影响 | Neurotoxin - Acute solvent syndrome |
| 暴露途径 | The substance can be absorbed into the body by inhalation of its vapour and by ingestion.inhalation, ingestion, skin and/or eye contactOral (L175)inhalation (L175)dermal (L175) |
| Milk Concentrations | n-Hexane was detected in 8 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville, PA and Baton Rouge LA(1). |
| 毒性概述 | IDENTIFICATION: n-Hexane is a straight chain saturated hydrocarbon obtained from certain petroleum fractions after various thermal or catalytic cracking steps. Commercial hexane may contain from 20%-85& n-Hexane and various amounts of hexane isomer, 2-methylpentane, 3-methylpentane, 2-3-dimethylbutene, cyclopentane, cyclohexane and small quantities of pentane and heptane isomers, acetone, methyl ethyl ketone, dichloromethane and trichloroethylene. Trace amounts of benzene may be present. N-Hexane is a colorless liquid and solubility in water is low. It is miscible with alcohol, chloroform and ether. Main uses are: rubber and adhesive solvent in shoe factoriesextraction of soybean oil, callous seed oil and flaxseed oil. It is used in the pharmaceutical and cosmetic industries and is a cleaning agent for textiles, furniture and leather products. N-Hexane is also used for: determination of the refractive index of minerals, filling for thermometers and denaturant. HUMAN EXPOSURE: The target organs are: central nervous system and peripheral nervous system, respiratory system, heart, skin and eyes. Chemical pneumonia can occur after ingestion and and aspiration to the lungs. CNS depression, convulsions, coma and death may follow acute exposures to large concentrations. Inhalation of n-hexane usually causes eye, nose, throat and respiratory irritation, which are rapidly reversible when exposure is discontinued. Symptoms are more severe is ingestion or inhalation are associated with exposure to other hydrocarbons which may potentiate the effects. Exogenous catecholamines may precipitate a fatal ventricular arrhythmia in the sensitized myocardium. Acute exposure to considerable concentrations of n-hexane may cause cough, wheezing, bloody frothy sputum, headache, dizziness, tachycardia and fever. Gastrointestinal symptoms may result. Respiratory system: slow and shallow respirationaspiration of n-hexane may cause pulmonary edema and chemical pneumonia. Cardiovascular syHexane's toxicity is caused by it neurotoxic metabolite, 2,5-hexanedione. It damages the central and peripheral nervous system by causing axonal swelling and degeneration. 2,5-Hexanedione also reacts with lysine side-chain amino groups in axonal cytoskeletal proteins to form pyrroles. This results in neurofilament cross-linking and loss of function. (L175) |
| 大气标准 | Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Hexane is included on this list. |
| CERCLA 应报告数量 | Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b). |
| State Drinking Water Standards | (NJ) NEW JERSEY 30 ug/L |
| 州饮用水指南 | (AZ) ARIZONA 4000 ug/L(FL) FLORIDA 10 ug/L(ME) MAINE 420 ug/L(MN) MINNESOTA 400 ug/LFor more State Drinking Water Guidelines (Complete) data for N-HEXANE (6 total), please visit the HSDB record page. |
| F | 3-10 |
| 水危害等级（WGK） | 3 |
| TSCA 清单状态 | TSCA listed |
| 毒性 | LC50 (4 hr) in mice by inhalation: 48000 ppmLD50 orally in rats: 32.0 g/kg (Couri, Milks) |
| RTECS 号 | MN9275000 |
| 包装类别 | II |
| 危险类别 | 3Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2 InhalationSTOT SE 3 |
| 储存类别 | 3 - Flammable liquids |
| 安全说明（S） | 9-16-29-33-60-61-62-36/37-45-36/37/39-53-26 |
| 海关编码 | 29011000 |
| 自燃温度 | 225 °C |
| 危险品标志 | F,Xn,N |
| 危险类别码（R） | 11-38-50/53-65-67-62-51/53-48/20-36/37/38 |
| 毒害物质数据 | 110-54-3(Hazardous Substances Data) |
| 职业暴露等级（OEB） | A |
| 职业暴露限值（OEL） | TWA: 50 ppm (180 mg/m3) |
| 运输编号（UN） | UN 1208 (HEXANES) |
| 立即危及生命和健康浓度 | 1,100 ppm [10% LEL] |
急性毒性
口服-大鼠 LD50:28710 毫克/公斤; 吸入-小鼠 LCL0: 120000 毫克/立方米
刺激数据
眼- 兔子 10 毫克 轻度
职业标准
TWA 180 毫克/ 立方米
爆炸物危险特性
与空气混合可爆
可燃性危险特性
遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
储运特性
库房通风低温干燥; 与氧化剂、酸类分开存放
灭火剂
干粉、二氧化碳、泡沫
用途与应用
概述
正己烷别名己烷，分子式C6H14，分子量为86.2，属于直链饱和脂肪烃类，由原油裂解及分馏获得。外观为无色具汽油味，有挥发性的液体，熔点(MP)为95℃，沸点为68.95℃，蒸气密度为2.97（空气=1），几乎不溶于水，易溶于氯仿、乙醚、乙醇。正己烷为有机溶剂，常用于橡胶、制药、香水、制鞋、皮革、纺织、家具、油漆等生产过程。近年来正己烷作为稀剂释用于黏合剂生产，或作为有机清洁剂使用，成为我国群体职业性正己烷中毒事件的元凶。
用途
萃取溶剂。
用途
用作分析试剂和溶剂
用途
主要用作溶剂，如植物油抽提溶剂、丙烯聚合溶剂、橡胶和涂料溶剂、颜料稀释剂。用于大豆、米糠、棉籽等各种食用油脂和香辛料中油脂等的抽提。此外，它还是高辛烷值燃料。
用途
溶剂。甲醇中水分测定。紫外光谱分析。农药残留分析。高效液相色谱。气相色谱分析标准。生化研究，蛋白质顺序分析。测定矿物折光率。有机合成。温度计中代替汞。
用途
正己烷可用于溶剂、萃取、有机合成，电子行业用于清洗，制药工业中作萃取剂，也是食用植物油的提取剂。
制备与合成方法
生产方法
正已烷在直馏汽油、铂重整抽余油或湿性天然气中的含量为1%-15%左右。目前工业生产主要从铂重整装置的抽余油（含己烷11%-13%）中分离。将抽余油精馏分离，除去轻组分和重组，得含正已烷60%-80%的馏分。采用双塔连续精馏，再经0501型催化剂加氢，除去苯等不饱和烃，得合格正已烷。美国还采用吸附分离法制备正己烷。
生产方法
由石油馏分中分馏而得(见19313)。