正丁烷

Butane

HCID 7843CAS 106-97-8

基本信息

标准SMILES
CCCC
InChIKey
IJDNQMDRQITEOD-UHFFFAOYSA-N
分子式
C4H10
平均分子量
58.12 g/mol
单同位素质量
58.07825032

概述

Butane is a colorless gas with a faint petroleum-like odor. For transportation it may be stenched. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air. Any leak can be either liquid or vapor. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used as a fuel, an aerosol propellant, in cigarette lighters, and to make other chemicals.

名称与标识

首选名称
Butane
IUPAC
butane
中文名
正丁烷
英文名
n-Butane
分子式
C4H10
分子量
58.12

名称与别名

BUTANEn-Butane106-97-8DiethylMethylethylmethaneButanenButaniButyl hydrideHC 600A 21 (lowing agent)R 600n-Butan
展开更多名称
丁烷正丁烷高纯正丁烷正丁烷气体正丁烷 4N甲基乙基甲烷甲醇中正丁烷甲醇中的正丁烷标准溶液丁烷-R600(工业级)正丁烷(置于无阀气瓶中)r600BataneBUTANES1-Butanen-BataneNormal butanebutane(liquefiedgas)
6LV4FOR43RE943an-C4H10INS NO.943DTXSID7024665INS-943E-943R-600

数据库标识

CAS
106-97-8
PubChem CID
7843
DTXSID
DTXSID7024665
ChEMBL
CHEMBL134702
ChEBI
CHEBI:37808
UNII
6LV4FOR43R
EC Number
203-448-7
Nikkaji
J4.041J

性质

结构计算性质

XLogP
2.9
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
1
重原子
4

实验与物化性质

Chemical Classes · 2 条

Flammable agents - 4th degree

Volatile Organic Compound (VOC)

SolventsSolvents -> Aliphatics, Saturated (<C12)
Cosmetics · 4 条

Cosmetics ingredient -> Other (Specify)

Cosmetic ingredients (Butane) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (n-Butane) -> CIR (Cosmetic Ingredient Review)

Propellant

SpringerMaterials PropertiesCoriolis coupling
LogP · 3 条

log Kow = 2.89

2.89

2.74

OdorFaint, disagreeable odor

物理化学性质

熔点
138 °C · −138 °C(lit.)
沸点
0.5 °C · −0.5 °C(lit.)
密度
0.579 g/mL · 0.579 g/mL at 20 °C(lit.)
蒸气密度
2.11 · 2.11 (vs air)
蒸气压
3.21 · 3.21, 1.26, and 0.66 mM at 4, 25, and 50 °C, respectively (Kresheck et al., 1965)
折射率
1.3326 · 1.3326

化学性质

无色可燃性气体。 不溶于水,易溶于乙醇、乙醚、氯仿及其他烃类。

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H220: Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P377, P381, and P403 (click each P-code to see the statement)

Danger

H220: Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P318, P377, P381, P403, P405, and P501 (click each P-code to see the statement)

危害信息

Regulatory Information · 6 条

Chemical: Butane

Hazard Traits - Carcinogenicity; Genotoxicity

Butane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane 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: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15434

Butane: HSNO Approval: HSR000989 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Butane: Human health tier I assessment
DOT LabelFlammable Gas
Fire Hazards · 4 条

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

· EXTREMELY FLAMMABLE.

· EXTREMELY FLAMMABLE.

Extremely flammable. Gas/air mixtures are explosive.

Fire Potential · 3 条

Highly flammable, dangerous fire ... risk.

Flammable in the presence of an oxidizing gas (eg air), a source of ignitino, and when the concentration of the gas is between the lower and upper explosive limits. Keep away from heat/sparks/open flame/hotsurface/oxidizing gas. No smoking.

Very dangerous fire hazard when exposed to heat, flame...

Health Hazards · 3 条

High exposure produces drowsiness but no other evidence of systemic effect. (USCG, 1999)

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

安全与防护

Fire Fighting · 2 条

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

Shut off supply; if not possible and no risk to surroundings, let the fire burn itself out. In other cases extinguish with powder, carbon dioxide. In case of fire: keep cylinder cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 3 条

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Accidental Release Measures · 4 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.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· 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.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 4 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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

General First Aid:

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Cool.
Firefighting HazardsOn loss of containment this substance can cause suffocation by lowering the oxygen content of the air in confined areas... Rapid evaporation of the liquied may cause frostbite. The substance may cause effects on the central nervous system.

毒理信息

Body Burden · 1 条

n-Butane was detected in 6 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville PA and Baton Rouge LA(1). According to the Total Exposure Assessment Methodology (TEAM) conducted in New Jersey, 2 of 12 personal breath samples contained n-butane(2). The background measurements utilized as a set of controls for air expired from humans contained n-butane in 8 of 20 samples collected over 18 mo(3). Butane was detected in human breath samples at concentrations between 1 to 10 ppb(4).

TreatmentTreatment for butane poisoning is supportive and symptomatic. Stimulants should not be administered. Recovery normally occurs quickly once exposure has ceased but support of the cardiovascular and respiratory systems may be needed. (L1284)
Interactions · 2 条

... Mixing butane and isobutylene produced an additive ... /CNS depressant/ effect in 2 of 12 mice and a potentiating effect in the remaining 10 animals. In rats, the butane-isobutylene mixture showed a summation of effects in 9 of 12 animals and a potentiation of effects in the remaining animals.

... Exposure of dogs to 1-20% n-butane for ... 2 min to 2 hr hypersensitized the heart to ventricular fibrillation induced by epinephrine. /In a separate study/ ... exposure of dogs to concn of 15-90% for 10 min caused the heart to be sensitized to epinephrine-induced arrhythmias.

Target Organscentral nervous system
Health EffectsButane targets the central nervous system and cardiovascular system. Inhalation of butane can cause frostbite which can result in death from asphyxiation and ventricular fibrillation. (L1283, L1284)
Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a log Kow of 2.89(2) and a regression-derived equation(3), indicates that n-butane is expected to have high mobility in soil(SRC). Volatilization of n-butane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.95 atm-cu m/mole(SRC), derived from its vapor pressure, 1820 mm Hg(4) and water solubility, 61.2 mg/L(5). The potential for volatilization of n-butane from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). While volatilization from soil surfaces is expected to be the predominant fate process of n-butane released to soil, this compound is also susceptible to biodegradation(SRC). A biodegradation rate of 1.8 mg C/day/kg dry soil(6) suggests that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a log Kow of 2.89(2) and a regression-derived equation(3), indicates that n-butane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 0.95 atm-cu m/mole(SRC), derived from its vapor pressure, 1820 mm Hg(5) and water solubility, 61.2 mg/L(6). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 50 minutes and 3 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 40(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Photolysis(8) or hydrolysis(4) of n-butane in aquatic systems are not expected to be important environmental fate process in water(SRC). While volatilization from water surfaces is expected to be the predominant fate process in water, this compound is also susceptible to biodegradation(SRC). Complete biodegradation was reported in 34 days using an activated sludge inoculum(9), suggesting biodegradation may be 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-butane, which has a vapor pressure of 1820 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase n-butane 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 6.3 days(SRC), calculated from its rate constant of 2.54X10-12 cu cm/molecule-sec at 25 deg(3). Experimental data showed that 7.7% of the n-butane fraction in a dark chamber reacted with nitrogen oxide to form the corresponding alkyl nitrate(4,5), suggesting nighttime reactions with radical species and nitrogen oxides may contribute to the atmospheric transformation of n-butane(SRC). Based on data for iso-octane and n-hexane(6), n-butane is not expected to absorb UV light at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

法规信息

FDA Requirements · 2 条

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Butane used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

FIFRA Requirements · 2 条

Residues of butane are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. Use: Propellant.

Residues of butane are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals. Use: propellant.

DHS Chemicals of Interest (COI) · 4 条

Butane

1

10000

Flammable chemical that can be released at a facility.

安全数据

F
4.5-31
wgk
-
tsca
TSCA listed
毒性
LC50 (inhalation) for mice 680 gm/m3/2-h, rats 658 gm/m3/4-h (quoted, RTECS, 1985).
RTECS号
EJ4200000
hazard_note
Extremely Flammable
毒性防护 · 3 条

毒性GRAS(FDA,§184. 1165,2000)。ADI未作规定(FAO/WHO,2001)。LC50 658g/m3 (大鼠,4h,吸入); LC 680g/m。(小鼠,2h,吸人)。

急性毒性吸入-大鼠LC50:658000毫克/立方米/4小时; 吸入-小鼠LC50:680000毫克/立方米/2小时

职业标准TWA 1900毫克/立方米; STEL 2350毫克/立方米

包装储运 · 4 条

爆炸物危险特性与空气混合明火、受热可爆

可燃性危险特性明火、受热可燃; 燃烧产生刺激烟雾

储运特性库房通风低温干燥; 轻装轻卸; 与氧气、空气等助燃气体钢瓶分开存放

灭火剂雾状水、二氧化碳、四氯化碳、二氧化碳

化学与工业

药理信息

Mechanism of Action · 1 条

...Not infrequently intentional butane inhalation results in high morbidity and mortality. A fatal outcome of butane abuse can be caused by asphyxia, cardiac arrhythmia or trauma. The reported number of cases in which death was the consequence of pure butane inhalation is limited, and in most cases a mixture of propellants was involved. This report covers two cases of sudden death due to the sniffing of a cigarette lighter refill containing butane. Autopsy was followed by toxicological, pathohistological and immunohistochemical analysis. Butane gas was confirmed in samples of blood, urine, brain and lungs... Histology showed almost identical changes in the lungs and heart in both cases. The morphology of heart damage on standard H/E stains was of special interest because it displayed all the characteristics of chronic and acute myocardial hypoxia found in the absence of atherosclerotic heart disease. In order to confirm early cardiac death caused by asphyxia due to butane inhalation a panel of immunohistochemical agents was used...

Biological Half-Life · 2 条

Based on kinetic studies ... with ethane and n-pentane, the elimination half-life of n-butane can be expected to be closer to that of n-pentane (half life= 0.13 hr, at nonsaturating concn).

Its elimination half-life is 0.13 hr at nonsaturating concns.

Metabolism/Metabolites · 4 条

A study was conducted to establish whether volatile hydrocarbons, such as propane, n-butane and iso-butane, are metabolized in mice or not. In mice having inhaled these gases, isopropanol and acetone were yielded from propane, sec-butanol and methyl ethyl ketone from n-butane, and tert-butanol from iso-butane as the respective metabolites. In addition, liver microsomes were found to contain the enzymic system participating in these metabolisms. In vitro reactions with liver microsomes produced isopropanol from propane, sec-butanol from n-butane, and tert-butanol from iso-butane. It was assumed that hydrocarbons were first converted to (omega-1)-alcohols by microsomal enzyme system and then to corresponding ketones by alcohol dehydrogenase.

Microsomal enzyme systems have been found that oxidize butane to its parent alcohol.

Hydroxylation of butane ... /occurs/ in rat liver microsomes to yield 2-butanol as the major metabolite. n-Butane is the lowest molecular weight alkane ... demonstrated to substrate-bind with cytochrome p450. ... If 2-butanol is the major metabolite formed in mammals, it would be expected to be eliminated in expired air. ... 2-Butanol may also be conjugated with glucuronic acid or be oxidized to methyl ethyl ketone which in turn is expired.

Purified liquefied petroleum gas (LPG), a mixture of butane, isobutane, and propane, is commonly abused by inhalation. Little is known about the mammalian metabolism of these substances. Metabolism of other hydrocarbons, including n-hexane and cyclohexane, has been studied in vitro using a range of liver preparations, with metabolites analyzed by static headspace techniques... Cyclohexanol and cyclohexanone were formed from cyclohexane and 1-, 2-, and 3-hexanol and 2-hexanone from n-hexane as predicted. Secondary alcohols are found for the other compounds studied, except for propene and isobutane, together with 2-propanone and 2-butanone from propane and n-butane, respectively. Samples from three individuals who died following LPG abuse contained a range of putative n-butane metabolites: n-butanol, 2-butanol, 2,3-butanediol, 3-hydroxy-2-butanone, and 2,3-butanedione. To /the authors/ knowledge, the last three compounds have not been proposed as metabolites of n-butane in man. These might be produced through similar metabolic pathways to those of n-hexane and n-heptane...

Absorption, Distribution and Excretion · 2 条

Inhalation studies ... in which rats and mice were exposed to lethal concn (27.8-29%) revealed that n-butane is absorbed and distributed to various tissues. After 4 hr of respiratory exposure, surviving rats were sacrificed ... concn of butane were ... highest in perinephric fat (2086 ppm), then brain (750 ppm), spleen (522 ppm), liver (492 ppm), and kidney (441 ppm). In mice exposed to 2 hr of butane vapors, the brain levels of n-butane were found to be 779 ppm. In both rats and mice the brain levels of n-butane correlated with the degree of CNS depression ... Dermal absorption of n-butane vapors has not been reported. However, dermal penetration of butane would not be expected to occur to any large extent since skin contact is transient because of volatility.

Because of its volatile nature, elimination of butane by exhalation can be anticipated.

用途与制造

Uses · 6 条

CIR ingredient: Butane

CIR ingredient: n-Butane

Used as an aerosol propellant, fuel, and chemical intermediate; present in natural gas and liquefied petroleum gas (LPG); [ACGIH]

Petroleum Production and Refining [Category: Industry]

As producer gas; raw material for motor fuels, in the manufacture of synthetic rubbers.

Organic synthesis, raw material for synthetic rubber and high-octane liquid fuels, fuel for household and many industrial purposes; manufacture of ethylene; solvent; refrigerant; standby and enricher gas; propellant in aerosols; pure grades used in calibrating instruments; food additive.

U.S. Exports · 5 条

(1972) 7.7X10+10 G

(1975) 4.23X10+11 G

(1984) 3.27X10+8 g

(1987) 8.25X10+4 bbl

(1988) 5.01X10+4 bbl

U.S. Imports · 4 条

(1972) 1.48X10+12 G

(1975) 1.69X10+12 G (INCL PROPANE MIXTS)

(1984) 5.17X10+9 g

(1986) 3.87X10+7 bbl

U.S. Production · 6 条

2023: 90,000,000,000 - <95,000,000,000 lb

(1975) 3.24-3.84X10+13 G

(1984) 1.08X10+12 g

(1987) 2.03X10+9 lb

Butane 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).

For more U.S. Production (Complete) data for n-Butane (8 total), please visit the HSDB record page.

Consumption PatternsAbout 90% as a gasoline blending additive; about 4% as a chem int for butadiene; about 3% as a chem int for ethylene; about 3% as a chem int for acetic acid & its by-products & for maleic anhydride (1975)
Consumer UsesIntermediate
应用领域 · 3 条

用途可以脱氢制丁二烯,氧化制乙酸、顺丁烯二酸酐,也可与硫起气相反应生成噻吩等

用途主要用作石化企业分析检测仪器的标准气

用途正丁烷除直接用作燃料外,还用作溶剂、致冷剂和有机合成原料。丁烷在催化剂存在下脱氢生成丁烯或丁二烯,在硫酸或无水氢氟酸存在下异构成为异丁烷,异丁烷催化脱氢生成异丁烯,异丁烷可作为烃化剂与烯烃反应生成抗爆性能好的支链烃。丁烷经催化氧化可制顺丁烯二酸酐、乙酸、乙醛等;经卤化可制卤代丁烷;经硝化可得硝基丁烷;在高温下催化可制取二硫化碳;经水蒸气转化可制取氢气。此外,丁烷还可做马达燃料掺和物以控制挥发成分;也可做重油精制脱沥青剂;油井中蜡沉淀剂;用于二次石油回收的流溢剂,树脂发泡剂,海水转化为新鲜水的致冷剂,以及烯烃剂格勒聚合溶剂等。

制备方法 · 1 条

生产方法油田气、湿天然气和裂化气中都含有正丁烷,经分离而得。(1)从油田气和湿天然气分离 将其加压冷凝分离,可得含丙烷、丁烷的液化石油气,再用蒸馏法分离得到丁烷。(2)从石油裂解的C4馏份分离 由炼厂常温减压蒸馏所得气体,经重整、催化裂化、焦化、热裂化、加氢裂化所得液体气都可得到大量C4馏分,由重整、加氢裂化和常减压蒸馏所得C4馏分主要为丁烷(正丁烷和异丁烷)。乙烯装置副产的C4馏分中也含丁烷,例如石脑油中等深度裂解产物中丁烷的收率为0.19 %(重量),占C4馏分的6.5%。由催化裂化装置来的尾气,经分馏,分离出C3馏分、异丁烯和C5馏分以后,从塔底送入前乙腈萃取蒸馏塔,由塔顶得到90%以上的正丁烷。

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
茂名市雄大化工有限公司18607606943 13929797612

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