正己烷

Hexane

HCID 8058CAS 110-54-3

基本信息

标准SMILES
CCCCCC
InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-N
分子式
C6H14
平均分子量
86.18 g/mol
单同位素质量
86.10955045

名称与标识

首选名称
Hexane
IUPAC
hexane
中文名
正己烷
英文名
Hexane
分子式
C6H14
分子量
86.18

名称与别名

HEXANEn-Hexane110-54-3Skellysolve BEsaniGettysolve-BHexyl hydrideDipropylHexanenHeksannormal-hexaneDTXSID0021917
展开更多名称
已烷己烷二丙基正己烷己烷类正已烷混合烷烃无水己烷碘正己烷正己烷GRHEXANES1-HEXANEOXFORDn-Hexann-Hexane, HPLC, 95.0% min.NAPHTHA SOLVENTISOHEXANES
NCI-C605712DDG612ED8CHEBI:29021NSC-68472DTXCID001917NSC68472RefChem:66581S70G88A39

数据库标识

CAS
110-54-3、478799-92-7、92112-69-1
PubChem CID
8058
DTXSID
DTXSID0021917
ChEMBL
CHEMBL15939
ChEBI
CHEBI:29021
UNII
2CE3AJR3M4、2DDG612ED8
EC Number
203-777-6、295-570-2
Nikkaji
J1.977A

性质

结构计算性质

XLogP
3.9
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
3
重原子
6

实验与物化性质

LogP · 3 条

log Kow = 3.90

3.90

3.9

OdorGasoline-like odor
Density · 6 条

0.659 at 68 °F (USCG, 1999) - Less dense than water; will float

0.6606 g/cu cm at 25 °C

Relative density (water = 1): 0.7

0.66

0.6606 @25 °C

0.66

Viscosity · 3 条

0.377 cP at 15 °C

3.26X10-4 Pa-s at 20 °C

1.4 mm²/s

Color/Form · 2 条

Liquid

Colorless, very volatile liquid

Solubility · 6 条

less than 1 mg/mL at 61.7 °F (NTP, 1992)

In water, 9.5 mg/L at 25 °C

9.5 to 13 mg/L at 20 °C in distilled water, 75.5 mg/L at 20 °C in salt water

Very soluble in ethanol; soluble in ethyl ether, chloroform

Miscible with alcohol, chloroform, and ether

0.0095 mg/mL at 25 °C

物理化学性质

熔点
-95 °C · -95 °C
沸点
68.95 °C · 68.95 °C(lit.)
密度
0.659 g/mL · 0.659 g/mL at 25 °C(lit.)
蒸气密度
3.5 · 3.5 (vs air)
蒸气压
40 mm · 40 mm Hg ( 20 °C)
折射率
20 · n20/D 1.388

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

GHS Classification · 6 条

Danger

H225: 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 exposure; Narcotic 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.

危害信息

Regulatory Information · 6 条

Chemical: Hexane

Chemical: Hexane, branched and linear

Hazard Traits - Environmental tox; Neurotoxicity; Reproductive Toxicity;Authoritative List - ATSDR Neurotoxicants; CA TACs; CWA 303(d); IRIS Neurotoxicants; OEHHA RELs; Prop 65;Report - regardless of intended function of ingredient in the product

Regulation (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

Other Safety InformationIMAP assessments - n-Hexane: Human health tier II assessment
DOT LabelFlammable Liquid
Fire Hazards · 3 条

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.

Fire Potential · 3 条

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.

Health Hazards · 2 条

INHALATION causes irritation of respiratory tract, cough, mild depression, cardiac arrhythmias. ASPIRATION causes severe lung irritation, coughing, pulmonary edema; excitement 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.

安全与防护

Fire Fighting · 2 条

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 nozzles; if 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.

First Aid Measures · 4 条

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.

Accidental Release Measures · 2 条

· 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.

First Aid · 3 条

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 area; take 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 used; if 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 resuscitation; the 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 support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Safe StorageStore 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.
Exposure Control and Personal Protection · 3 条

· 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 shift;

50.0 [ppm]

毒理信息

Toxicological InformationCDC-ATSDR Toxicological Profile
Body Burden · 1 条

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).

Interactions · 5 条

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.

Target Organs · 3 条

Neurological (Nervous System), Respiratory (From the Nose to the Lungs)

Nervous

Eyes, skin, respiratory system, central nervous system, peripheral nervous system

Health Effects · 1 条

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)

Ecotoxicity Values · 5 条

LC50; Species: Goldfish; Concentration: 4 mg/L for 24 hr /Conditions of bioassay not specified/

EC50; Species: Chlamydomonas angulosa (Green Algae) age 3-4 days, exponential growth phase 5x10+4 cells/mL; Conditions: static, 19 °C, pH 6.5; Concentration: 94 mmol/cu m for 3 hr; Effect: physiology, photosynthesis /formulation/

EC50; Species: Chlorella vulgaris (Green Algae) age 3-4 days, exponential growth phase 20x10+4 cells/mL; Conditions: static, 19 °C, pH 6.5; Concentration: 149 mmol/cu m for 3 hr; Effect: physiology, photosynthesis /formulation/

LC50; Species: Artemia salina (Brine Shrimp) nauplii; Conditions: saltwater, static, 20 °C; Concentration: 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.

法规信息

Regulatory Information · 6 条

Chemical: Hexane

Chemical: Hexane, branched and linear

Hazard Traits - Environmental tox; Neurotoxicity; Reproductive Toxicity;Authoritative List - ATSDR Neurotoxicants; CA TACs; CWA 303(d); IRIS Neurotoxicants; OEHHA RELs; Prop 65;Report - regardless of intended function of ingredient in the product

Regulation (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

FDA RequirementsHexane is an indirect food additive for use only as a component of adhesives.
Atmospheric Standards · 1 条

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 Reportable Quantities · 1 条

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
State Drinking Water Guidelines · 5 条

(AZ) ARIZONA 4000 ug/L

(FL) FLORIDA 10 ug/L

(ME) MAINE 420 ug/L

(MN) MINNESOTA 400 ug/L

For more State Drinking Water Guidelines (Complete) data for N-HEXANE (6 total), please visit the HSDB record page.

安全数据

F
3-10
wgk
3
tsca
TSCA listed
毒性
LC50 (4 hr) in mice by inhalation: 48000 ppm; LD50 orally in rats: 32.0 g/kg (Couri, Milks)
RTECS号
MN9275000
包装类别
II
毒性防护 · 4 条

毒性沸点为62~82℃者,ADI以GMP为限(FAO/WHO,2001)。

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

包装储运 · 4 条

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

化学与工业

药理信息

Mechanism of Action · 3 条

N-hexane ... causes peripheral polyneuropathy and testicular atrophy. The testicular toxicity is separate from its neurotoxicity. /The metabolite, 2,5-hexanedione (HD)/ produces gonadal toxicity by altering testicular tubulin. The HD testicular toxicity results from alterations in Sertoli cell microtubules and the altered microtubules result from pyrole-dependent cross-linking. HD toxicity is slow in onset. Initially, HD affects the cross-linking of cytoskeletal elements leading to altered protein secretions and trafficking in the Sertoli cell. Consequently, there is altered Sertoli cell-germ cell contacts and a loss of Sertoli cell paracrine support of the germ cells.

2,5-Hexanedione is the toxic metabolite resulting from oxidation of /n-hexane./ ... Exposure to 2,5-hexanedione or its precursors results in a slowly progressive peripheral polyneuropathy and testicular injury. The chemical basis of the injury involves reaction of 2,5-hexanedione with protein amines, such as the epsilon-amine of lysine, to form pyrroles which further react to form protein-protein crosslinks. The target cell of injury in the testis is the supportive cell in the seminiferous epithelium, the Sertoli cell. A major function of the Sertoli cell is to nurture the dependent germ cell population by secreting seminiferous tubule fluid. 2,5-Hexanedione-induced crosslinking of the microtubule subunit protein, tubulin, leads to altered Sertoli cell microtubule-dependent transport and deficient formation of seminiferous tubule fluid, compromising germ cell viability.

n-Hexane's metabolism to 2,5-hexanedione decreases phosphorylation of neurofilaments, which destroys the normal cytoskeletal matrix. Neurofilament proteins are then transported down the axon where they accumulate, crosslink, and produce the giant axonal swelling that characterizes this axonopathy.

Biological Half-LifeUrine (2,5-hexanedione): 15 hours; blood: 2-3 hours; fat: 64 hours; [TDR, p. 769]
Metabolism/Metabolites · 6 条

Different levels of physical activity, namely, rest, 25 W, and 50 W (for 12 hr followed by 12 hr at rest) were simulated to assess the impact of work load on the recommended biological exposure indices: ...free (nonhydrolyzed) 2,5-hexanedione (a metabolite of n-hexane) at the end of the shift at the end of the workweek. ... Urinary 2,5-hexanedione predicted for 50 ppm was 1.07 mg/L at 50 W and 0.92 mg/L at rest (+16%). ...

Phenobarbital pre-treatment induces 2- and 3-hydroxylation /of n-hexane/ six-fold; 3,4-benzopyrene suppresses 2- and stimulates 3-hydroxylation.

The major urinary metabolite in rat is 1-hexanol.

...2,5-Hexanedione is principal metabolite of this and other 6-carbon compounds... .

For more Metabolism/Metabolites (Complete) data for N-HEXANE (8 total), please visit the HSDB record page.

Hexane has known human metabolites that include Hexanol.

Absorption, Distribution and Excretion · 5 条

Hexane is absorbed through the lungs and relatively poorly absorbed through the intact skin.

Accumulation in the tissues depends on lipid content in these tissues. n-/Hexane/ is oxidized in the liver. Excretion occurs via the lungs and kidneys. ... Excretion of /hexane/ is related to dose.

The pharmacokinetics of inhaled n-hexane in rat and man were compared. In the rat metabolism was saturable. Up to 300 ppm, the metabolic rate was directly proportional to the concentration in the atmosphere, reaching 47 umol/(hr X kg). Only 17% of n-hexane was exhaled unchanged. Above 300 ppm, the amount of n-hexane in the body rose with increasing atmospheric concentrations from 1.6 up to a limiting value of 9.6, which corresponded to the thermodynamic distribution coefficient of n-hexane between the organism and the atmosphere. Up to 3000 ppm, the rate of metabolism increased to 245 umol/(hr X kg); only a slow further increase was found up to 7000 ppm (285 umol/(hr X kg). In man the steady-state concentrations of n-hexane were about 1 ppm. The metabolic clearance was 132 1/hr, and n-hexane accumulated to a factor of 2.3 in the organism. The thermodynamic distribution coefficient was calculated to be 12. Twenty per cent of n-hexane in the body was exhaled unchanged. At low concentrations the rate of metabolism of n-hexane is limited in both species by transport to the enzyme system. Under these conditions the rate of metabolism of n-hexane should not be influenced by xenobiotics which induce the n-hexane metabolizing enzyme system.

... Male Fischer 344 rats were exposed to 500, 1000, 3000 or 10,000 ppm (14)C-n-hexane for 6 hr and the elimination of radioactivity followed for 72 hr after exposure. The disposition of radioactivity was dose-dependent, with 12, 24, 38 and 62% of the acquired body burden excreted as n-hexane by the lung with increasing exposure concentration. In contrast, 38, 31, 27 and 18% of the body burden of radioactivity was recovered as expired (14)CO2 and 35, 40, 31 and 18% was recovered in the urine with increasing n-hexane concentration. Radioactivity remaining in the tissues and carcass 72 hr after exposure represented 6.1, 8.8, 7.4 and 5.4% of the body burden for the respective exposures. The dose-dependent elimination of radioactivity was apparently due in part to an inhibition of n-hexane metabolism, reflected by a decrease in total 14CO2 and urinary 14C excretion after 10,000 ppm exposure compared to the 3000 ppm exposure.

For more Absorption, Distribution and Excretion (Complete) data for N-HEXANE (6 total), please visit the HSDB record page.

Cellular LocationsMembrane

用途与制造

Uses · 6 条

The main use of hexane is as a solvent to extract edible oils from seed and vegetable crops (e.g., soybeans, peanuts, corn). Hexane is also used as a cleaning agent (degreaser) in the printing industry.

Used as a solvent, especially in the adhesive and shoe industries; abused by glue sniffers for its euphoric effects; [LaDou, p. 430] Used in shoe and furniture manufacture to dissolve glue; also used in adhesive tape manufacturing; [Sullivan, p. 1211] Fuels made from petroleum contain n-hexane. Modern blends of US gasoline contain about 3% n-hexane. [ATSDR ToxProfiles] Used as a solvent for vegetable oils, polymers, and paints; [Hawley] Used as a degreaser by vehicle repair technicians in a commercially available aerosol containing toluene, acetone, and hexane (50% n-hexane); [Reference #2] Used for determining refractive index of minerals, filling for thermometers (instead of mercury), for calibrations, as reaction medium for polymerizations and pharmaceutical manufacture, alcohol denaturant, as cleaning agent in textile, furniture, and leather industries, and as laboratory reagent; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry];Painting (Solvents) [Category: Paint];Working with Glues and Adhesives [Category: Other];Leather Tanning and Processing [Category: Industry]

Leather crafting [Category: Hobbies];Painting [Category: Hobbies];Sculpturing plastics [Category: Hobbies]

Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing.

Solvent, especially for vegetable oils; low temperature thermometers; calibrations; polymerization reaction medium; paint diluent; alcohol denaturant.

ImpuritiesThe isomers most commonly accompanying it are 2-methylpentane, 3-methylpentane, 2,3-dimethylbutane and 2,2-dimethylbutane.
U.S. Exports(1972) NEGLIGIBLE
U.S. Imports(1972) NEGLIGIBLE
U.S. Production · 4 条

2023: 1,000,000,000 - <2,500,000,000 lb;2022: 1,000,000,000 - <2,500,000,000 lb;2021: 1,000,000,000 - <2,500,000,000 lb;2020: 1,000,000,000 - <2,500,000,000 lb

Hexane is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#268]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Hexane. Aggregated National Production Volume: 500 million to < 1 billion pounds.

Consumer UsesIntermediate;Propellants, non-motive (blowing agents);Laboratory chemicals;Not Known or Reasonably Ascertainable;Monomers;Fuel;Fuel agents;Solvent;Flavoring and nutrient;Lubricating agent
应用领域 · 6 条

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)。

试剂价格

L09938 · 250ml
正己烷, 99% n-Hexane, 99% — 489元
047104 · 250ml
正己烷, 无水, 加分子筛, 氩气可重封的n-Hexane, anhydrous, over molecular sieves, packaged under argon in resealable ChemSealTM bottles — 607元

供应商24 家

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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