Isobutylene

HCID 8255CAS 115-11-7

基本情報

標準SMILES
C=C(C)C
InChIKey
VQTUBCCKSQIDNK-UHFFFAOYSA-N
分子式
C4H8
平均分子量
56.11 g/mol
単同位体質量
56.06260026

概要

Isobutylene 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 own vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air and a flame can flash back to the source of leak very easily. The leak can either be a liquid or vapor leak. It can asphyxiate by the displacement of air. Under prolonged exposure to fire or heat the containers may rupture violently and rocket. It is used in the production of isooctane, a high octane aviation gasoline.

名称と識別子

優先名称
Isobutylene
IUPAC
2-methylprop-1-ene
英語名
Isobutylene
分子式
C4H8
分子量
0

名称と別名

ISOBUTYLENEIsobutene2-methylprop-1-ene2-Methylpropene115-11-72-Methyl-1-propene2-Methylpropylene1,1-Dimethylethylenegamma-Butylene1-Propene, 2-methyl-IsopropylidenemethylenePropene, 2-methyl-
名称をさらに表示
1,1-DimethyletheneQA2LMR467HDTXSID9020748CHEBI:439072-methyl propeneRefChem:5913DTXCID90748204-066-3

データベース識別子

CAS
115-11-7、68037-14-9
PubChem CID
8255
DTXSID
DTXSID9020748
ChEBI
CHEBI:43907
UNII
QA2LMR467H
EC Number
204-066-3
Nikkaji
J2.465A

物性

構造計算による物性

XLogP
2.1
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
4

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling
LogP · 3 件

log Kow = 2.34

2.35

2.34

OdorCoal gas odor
Density · 5 件

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

0.589 g/cu cm at 25 °C (p >1 atm)

Density: 0.6 at 20 °C

Relative density (water = 1): 0.59

0.6 @25 °C

Color/Form · 2 件

Colorless gas

Colorless volatile liquid or easily liquefied gas

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H220: Extremely flammable gas [Danger Flammable gases]

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

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1424) of reports.

Danger

H220 (99.9%): Extremely flammable gas [Danger Flammable gases]

危険有害性情報

Regulatory Information · 5 件

Chemical: 1-Propene, 2-methyl-

1-Propene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 2-methyl- 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: 15-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16106

1-Propene, 2-methyl- (isobutene): HSNO Approval: HSR001004 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 - 1-Propene, 2-methyl-: Human health tier I assessment
DOT LabelFlammable Gas
Fire Hazards · 4 件

Behavior in Fire: Containers may explode in fire. Vapor is heavier than air and may travel a long distance to a source of ignition and flash back. (USCG, 1999)

· EXTREMELY FLAMMABLE.

· EXTREMELY FLAMMABLE.

Extremely flammable. Gas/air mixtures are explosive. Risk of fire and explosion on contact with oxidizing agents or halogens. See Chemical Dangers.

Fire Potential · 2 件

A very dangerous fire and explosion hazard when exposed to heat or flame.

Highly flammable, dangerous fire, and explosion risk.

Health Hazards · 3 件

Inhalation of moderate concentrations causes dizziness, drowsiness, and unconsciousness. Contact with eyes or skin may cause irritation; the liquid may cause frostbite. (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.

安全と保護具

Fire Fighting · 2 件

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 water spray, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 3 件

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 件

· 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 · 3 件

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.

General First Aid:

General First Aid:

Safe StorageFireproof. Separated from incompatible materials. See Chemical Dangers. Cool.
Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

毒性情報

Interactions · 1 件

Gas-liquid chromatography was used to study brain hydrocarbon content in rats and mice inhaling mixtures of butane and isobutylene. There was summation of CNS depressant effects of butane and isobutylene toward potentiation rather than antagonism.

Environmental Fate · 4 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a structure estimation method(2), indicates that isobutylene is expected to have very high mobility in soil(SRC). Volatilization of isobutylene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 0.218 atm-cu m/mole(3). Isobutylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2,308 mm Hg at 25 °C(4). Isobutylene was degraded to 1,2-epoxy butane by pure cultures of methanotrophic bacteria(5), suggesting biodegradation may occur at intefaces between aerobic and anaerobic conditions in soil(SRC).

FIELD STUDY: Isobutylene was detected at 165 and 125 ppbv in 2 gas recovery wells at the Case Passerini landfill site in Florence, Italy. The concentration was <10 ppbv in cover soil samples at depths of 0, 30, 50 and 70 cm. Sampling was conducted during the summer dry season in July(1).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 32(SRC), determined from a structure estimation method(2), indicates that isobutylene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 0.218 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 and 71 hours, respectively(SRC). According to a classification scheme(5), an estimated BCF of 16(SRC), from its log Kow of 2.34(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Isobutylene was degraded to 1,2-epoxy butane by pure cultures of methanotrophic bacteria(7), suggesting biodegradation may occur at intefaces between aerobic and anaerobic conditions in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobutylene, which has a vapor pressure of 2,308 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase isobutylene 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 7.5 hours(SRC), calculated from its rate constant of 5.14X10-11 cu cm/molecule-sec at 25 °C(3). The rate constant for the gas-phase reaction of isobutylene with ozone has been measured as 1.2X10-17 cu cm/molecule-sec at 25 °C(4). This corresponds to an atmospheric half-life of about 23 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(4). Isobutylene does not absorb UV light at wavelengths >290 nm(5) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Toxicity Summary · 1 件

IDENTIFICATION AND USE: Isobutylene is an easily liquefied gas. It is used to produce diisobutylene, trimers, butyl rubber, and other polymers. It is also used to produce antioxidants for foods, packaging, food supplements, and for plastics. HUMAN STUDIES: Isobutene causes CNS depression at higher concentrations. There is a linear relationship between the degree of CNS depression and the cerebral concentrations. Isobutylene was not mutagenic when tested in the in vitro micronucleus test using human lymphocytes. ANIMAL STUDIES: Isobutene, at 30%, produces no CNS depression in mice, and excitement and CNS depression in 7 to 8 min at 40%, but immediate CNS depression in 2-2.25 min at 50%, or in 50-60 sec at 60 to 70%. Exposure to isobutene by inhalation for 2 years resulted in increased incidences and/or severities of nasal lesions including hyaline degeneration of the olfactory epithelium in mice and hyaline degeneration of the respiratory epithelium in male and female mice. There was no evidence of carcinogenic activity of isobutylene in male or female mice exposed to 500, 2,000, or 8,000 ppm 6 hours per day, 5 days per week, for 105 weeks. There was some evidence of carcinogenic activity of isobutene in male rats based on an increased incidence of follicular cell carcinoma of the thyroid gland. It was negative when tested for mutagenicity in Escherichia coli, the Ames Salmonella typhimurium assay, and a modified Salmonella assay, with and without metabolic activation. No increase in the frequency of micronucleated erythrocytes was seen in peripheral blood of male or female mice treated with isobutylene by inhalation for 14 weeks.

Signs and Symptoms · 3 件

Dizziness. Drowsiness. Lethargy. Nausea. Unconsciousness. Vomiting.

ON CONTACT WITH LIQUID: FROSTBITE.

See Skin.

法規制情報

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

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isobutylene is produced, as an intermediate or a final product, by process units covered under this subpart.

DHS Chemicals of Interest (COI) · 4 件

2-Methylpropene

1

10000

Flammable chemical that can be released at a facility.

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H220

化学と産業

薬理情報

Metabolism/Metabolites · 4 件

Metabolism of isobutene (2-methylpropene) in rats (Sprague Dawley) and mice (B6C3F1) follows kinetics according to Michaelis-Menten. The maximal metabolic elimination rates are 340 umol/kg/hr for rats and 560 umol/kg/hr for mice. The atmospheric concentration at which Vmax/2 is reached is 1200 ppm for rats and 1800 ppm for mice. At steady state, below atmospheric concentrations of about 500 ppm the rate of metabolism of isobutene is direct proportional to its concentration. 1,1-Dimethyloxirane is formed as a primary reactive intermediate during metabolism of isobutene in rats and can be detected in the exhaled air of the animals. Under conditions of saturation of isobutene metabolism the concentration of 1,1-dimethyloxirane in the atmosphere of a closed exposure system is only about 1/15 of that observed for ethene oxide and about 1/100 of that observed for 1,2-epoxy-3-butene as intermediates in the metabolism of ethene or 1,3-butadiene.

The biotransformation of 2-methylpropene, a gaseous alkene widely used in industry, was investigated in vitro in liver tissue of rats, mice, and humans. Interspecies comparison revealed that the lowest levels of the primary epoxide metabolite were detected in incubations of 2-methylpropene with human liver homogenate, followed by rat and mouse, respectively. Among the human liver samples, however, important interindividual variations were observed. Out of the 16 samples analyzed, only 2 contained measurable epoxide amounts, while in the other samples only traces were detectable. The involvement of rat liver cytochrome P450 2E1 in the activation of 2-methylpropene to its epoxide 2-methyl-1,2-epoxypropane has been established. The lower capacity of the mixed function oxidase system in human liver samples compared to rodents is confirmed. Concerning epoxide detoxifying enzymes, a high microsomal epoxide hydrolase activity was observed in human liver tissue and an intermediate in rat liver, while a low activity was measured in mouse liver. These findings were inversely correlated with the epoxide levels measured in vitro in liver tissue of the three species studied. It can be concluded that, as far as the in vitro metabolism of 2-methylpropene is concerned, neither mouse nor rat represents a good model for the human situation. Although, the same biotransformation pathways are involved, marked quantitative differences in epoxide levels were observed. The results indicate that human liver tissue is exposed in vitro to smaller concentrations of the primary metabolite 2-methyl-1,2-epoxypropane than rodent liver.

The effect of age and gender on the in vitro biotransformation of 2-methylpropene, an alkene metabolized to 2-methyl-1,2-epoxypropane, was studied. The epoxide concentration and the epoxide metabolizing enzymatic activities were investigated in male and female Brown Norway rats of different ages. Liver tissue of senescent rats was exposed to smaller 2-methyl-1,2-epoxypropane concentrations than that of young animals, although changes during ageing were rather modest. With advancing age a feminization of male glutathione S-transferase and cytosolic epoxide hydrolase activities was found, as well as a significant decline of the female microsomal epoxide hydrolase activity and an increase of the cytochrome p450 content in the oldest female rats.

... As an aid to planning long-term toxicity studies, research was conducted to determine the effect of exposure concentrations on the absorption and metabolism of isobutene in F344/N rats. Male F344/N rats (11-15 weeks of age) were exposed for 2 hr to 0, 40, 400, or 4000 ppm isobutene, and a time-course evaluation of blood levels of isobutene was performed using headspace analysis methods. Blood levels of isobutene were linearly related to exposure concentrations between 40 and 400 ppm but increased in a supralinear fashion at the highest concentration, suggesting that the capacity of the rats to metabolize isobutene had been exceeded. Total uptake, excretion patterns, and metabolic conversions were studied in rats exposed for up to 6 hr to 0, 2, 40, 400, or 4000 ppm [(14)C]isobutene. Absorption of the inhaled isobutene was approximately 8% up to 40 ppm isobutene, but decreased at the higher concentrations. The amount of isobutene metabolized per ppm.hr of exposure was also linear up to 40 ppm but decreased at higher concentrations. Over 90% of the absorbed isobutene was metabolized at exposure concentrations up to 400 ppm, but the exposure to approximately 4000 ppm isobutene resulted in approximately 20% of the absorbed dose exhaled as the unmetabolized isobutene. Two urinary metabolites were identified as isobutenediol and 2-hydroxyisobutyric acid. Two other urinary metabolites were tentatively identified as sulfate conjugates of isobutenediol. Based on these studies, linear dose-response relationships would be expected in chronic toxicity studies for exposures up to 40 ppm isobutene ...

Absorption, Distribution and Excretion · 1 件

In metabolic studies on rats and mice, inhaled isobutene levels in the brain and parenchymatous organs were similar, but the level in the fatty tissue was significantly higher than in the brain, liver, kidneys, or spleen. It is assumed that the major route of excretion of isobutene is by pulmonary exhalation.

用途と製造

Uses · 4 件

Used to make trimers, polymers, antioxidants (foods, packaging, food supplements, and plastics), high-octane aviation gasoline, tert-butanol methacrylates and other resins; [HSDB]

Primarily used to produce diisobutylene, trimers, butyl rubber, and other polymers; also to produce antioxidants for foods, packaging, food supplements, and for plastics.

Production of isooctane, high-octane aviation gasoline, butyl rubber, polyisobutene resins, tert-butyl chloride, tert-butanol methacrylates; copolymer resins with butadiene, acrylonitrile, etc.; methyl-tert-butyl ether.

Isobutene is used as a monomer or the formation of a copolymer for the production of synthetic rubber and various plastics.

U.S. Production · 6 件

2023: 7,000,000,000 - <8,500,000,000 lb

(1972) 2.72X10+11 GRAMS

(1973) 3.5X10+11 GRAMS

(1984) 4.01X10+11 g

(1991) 0.97 billion lb

For more U.S. Production (Complete) data for Isobutylene (6 total), please visit the HSDB record page.

Consumption Patterns100% AS A CHEM INT, OF WHICH 45% IS USED FOR BUTYL ELASTOMER, 40% FOR POLYBUTENES, 7% FOR DIISOBUTYLENE, 6% FOR POLYISOBUTYLENES, AND 2% FOR DI-TERT-BUTYL P-CRESOL (1973)
Consumer UsesFuel
Industry UsesNot Known or Reasonably Ascertainable
Methods of Manufacturing · 3 件

Obtained from refinery streams by absorption on 65% H2SO4 at about 15 °C; ... Separation from a mixed C4 stream using 50% H2SO4.

Isobutene is produced in refinery streams ... by reacting with an aliphatic primary alcohol and then hydrolyzing the resulting ether.

Fractionation of refinery gases, catalytic cracking of MTBE.

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