Butane

HCID 178532361CAS 69751-60-6

Basic information

Standard SMILES
CCCC
InChIKey
IJDNQMDRQITEOD-UHFFFAOYSA-N
Molecular formula
C4H10
Average molar mass
58.12 g/mol

Overview

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.

Names & identifiers

Preferred name
Butane
IUPAC
butane
English name
n-Butane-1,1,1,2,2-d5
Molecular formula
C4H10
Molecular weight
58.12

Names & synonyms

BUTANEn-Butane106-97-8DiethylMethylethylmethaneButanenButaniButyl hydrideHC 600A 21 (lowing agent)R 600n-Butan
Show more names
Butane-1,1,1,2,2-d5n-Butane-1,1,1,2,2-d5n-Butane-1,1,1,2,2-D5 (gas)
6LV4FOR43RE943an-C4H10INS NO.943DTXSID7024665INS-943E-943R-600

Database identifiers

CAS
69751-60-6
ChEMBL
CHEMBL134702
ChEBI
CHEBI:37808
UNII
6LV4FOR43R
EC Number
203-448-7
Nikkaji
J4.041J

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
4

Experimental & physicochemical properties

Chemical Classes · 2 items

Flammable agents - 4th degree

Volatile Organic Compound (VOC)

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

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 items

log Kow = 2.89

2.89

2.74

OdorFaint, disagreeable odor

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 6 items

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 items

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

· EXTREMELY FLAMMABLE.

· EXTREMELY FLAMMABLE.

Extremely flammable. Gas/air mixtures are explosive.

Fire Potential · 3 items

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 items

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.

Safety & protection

Fire Fighting · 2 items

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 items

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 items

· 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 items

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.

Toxicology

Body Burden · 1 item

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 items

... 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 items

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).

Regulatory information

FDA Requirements · 2 items

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 items

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 items

Butane

1

10000

Flammable chemical that can be released at a facility.

Chemistry & industry

Pharmacology

Mechanism of Action · 1 item

...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 items

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 items

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 items

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.

Uses & manufacturing

Uses · 6 items

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 items

(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 items

(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 items

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

Upstream & downstream products

Downstream products

Suppliers2 total

Related reactions

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Linked notes

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