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HCID 11239作成日:2026年10月25日

3-Methyl-1-butene

https://huagongshe.com/ja/chemical/11239

3-Methyl-1-butene の分子構造式

識別子と物理属性

CAS No.563-45-1
分子式C5H10
平均分子量70.13 g/mol
単同位体質量70.07825032 g/mol
SMILESC=CC(C)C
InChIKeyYHQXBTXEYZIYOV-UHFFFAOYSA-N
PubChem CID11239
ChEBICHEBI:77914
EC No.209-249-1
DTXSIDDTXSID7060336

化学・物理的性質

XLogP2.2
極性表面積0
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1
重原子数5
形式電荷0
複雑度27
物質分類Other Classes -> Aliphatics, UnsaturatedFlammable agents - 4th degree
SpringerMaterials PropertiesCoriolis coupling
臭いDisagreeable odor
密度0.6213 @ 25 °C/4 °C
Color/Form... gas
溶解度Soluble in benzenemiscible in ethanol and ethyl etherIn water, 130 mg/l @ 25 °C.
引火点less than 20 °F (NFPA, 2010)-57 °CBELOW 20 °F (BELOW -7 °C) (CLOSED CUP)
沸点20.1 °C
DecompositionWhen heated to decomposition it emits acrid smoke and irritating fumes.
融点-168.5 °C
蒸気圧903 mm Hg @ 25 °C
屈折率Index of refraction: 1.3643 @ 20 °C/D

安全性と法規制

GHS 分類DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報Chemical: 1-Butene, 3-methyl-1-Butene, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 3-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)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.)
輸送ラベル(DOT)Flammable Liquid
火災危険Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
火災の可能性HIGHLY FLAMMABLE, DANGEROUS FIRE ... RISKVery dangerous fire hazard when exposed to heat, flame, or oxidizers.
健康有害性Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
有害性の概要A fire and explosion hazard[Hawley] A skin and eye irritant[CAMEO] An irritant[MSDSonline]
輸送番号・ガイド(DOT)2561 128
反応性グループHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity Profile3-METHYL-1-BUTENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.
Flammable LimitsLower flammable limit: 1.5% by volumeUpper flammable limit: 9.1% by volume
DOT Emergency Guidelines/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: 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 ground and collect in low or confined areas (sewers, basements, tanks). 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 are lighter than water. Substances may be transported hot./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: 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 suffocation. Runoff from fire control or dilution water may cause pollution./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.For more DOT Emergency Guidelines (Complete) data for 3-METHYL-1-BUTENE (8 total), please visit the HSDB record page.
消火Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
漏出応急措置· 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.
応急処置Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:General First Aid:
暴露管理・個人防護· Wear positive pressure self-contained breathing apparatus (SCBA).
消火手順To fight fire, use alcohol foam, mist, spray, dry chemical, carbon dioxide.
非火災時の漏出対応Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
健康影響Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
環境中動態TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that 3-methyl-1-butene is expected to have high mobility in soil(SRC). Volatilization of 3-methyl-1-butene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.54 atm-cu m/mole(SRC), determined using the vapor pressure of 903 mm Hg(4), and its water solublity value of 130 mg/l(5). The potential for volatilization of 3-methyl-1-butene from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). 3-Methyl-1-butene's linear, relatively low molecular weight, hydrocarbon structure suggests that biodegradation in soil is expected to be an important fate process(6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that 3-methyl-1-butene is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.54 atm-cu m/mole(SRC), determined using its vapor pressure of 903 mm Hg(7), and its water solublity value of 130 mg/l(8). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 0.855 hr and 79.56 hr, respectively(SRC). 3-Methyl-1-butene's linear, relatively low molecular weight, hydrocarbon structure suggests that biodegradation in water is expected to be an important fate process(10). According to a classification scheme(5), an estimated BCF of 20(SRC), from an estimated log Kow of 2.6(6) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is low.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-methyl-1-butene, which has a vapor pressure of 903 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase 3-methyl-1-butene 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 0.5 days(SRC), calculated from its estimated rate constant of 3.18X10-11 cu cm/molecule-sec at 25 °C(3). The rate constant for the gas-phase reaction of 3-methyl-1-butene with ozone has been measured as 9.50X10-18 cu cm/molecule-sec at 25 °C(4). This corresponds to an atmospheric half-life of about 1 hr at an atmospheric concentration of 7X10+11 ozone molecules per cu m(4).
有害作用Neurotoxin - Acute solvent syndrome
暴露経路Oral (L400)inhalation (L400)dermal (L400)
毒性の概要Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and SymptomsPetroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)
Effluent Concentrations3-Methyl-1-butene is one of the alkenes formed during the combustion of fuel by various engines. The amount of 3-methyl-1-butene detected or its absence from the exhaust emissions is dependent upon the type of fuel used. 3-Methyl-1-butene was identified, not quantified, among the alkenes detected in the exhaust of an afterburning turbojet engine J85-GE-5B(1). The fuel used by the jet engines was kerosene JP5 (85.9% paraffins, 13.4% aromatics and 0.7% olefins). The exhaust emissions of two- (moped) and four-stroke (lawn mower) engines were tested for no-methane hydrocarbons using alkylate- and reformate-based fuels(2). 3-Methyl-1-butene constituted 0.09 weight percent of the emitted hydrocarbons even though it was not present in the alkylate-based fuel. It constituted 0.05 and 0.06 weight percent of reformate-based fuel and its exhaust, respectively. Amounts of C2-C6 hydrocarbons in the exhaust emissions of diesel-burning ferries was compared in Skagerak-Kattegatt-Oresund region of Sweden (3). The amount of 3-methyl-1-butene ranged from <0.03 to 0.05 mg/cu nm during both the crossing and the low-speed maneuvering of the ferries. 3-Methyl-1-butene was also detected in the stack emissions of waste incineration plants(4).
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for 3-methyl-1-butene can be estimated to be about 68(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-methyl-1-butene is expected to have high mobility in soil.
Atmospheric ConcentrationsSOURCE DOMINATED: 3-Methyl-1-butene was detected in an air samples from Atlanta collected between Aug 23-27, 1990 during the morning rush hour. The average concentration detected was 0.1583 +/- 0.0091 ppbC%(1). In air samples collected on Aug 27, 1990 from Atlanta's Hartsfield International Airport, an average concentration of 3-methyl-1-butene was monitored to be 0.090 +/- 0.022 ppbC%. 3-Methyl-1-butene was also detected in Tingstad Tunnel in Gotesborg, Sweden(2) in samples collected on Jun 6, 1991, Jan 15, Feb 10 and 19, 1992. The percent concentration ranged form 0.06 - 0.11% of the non-methane volatile hydrocarbons.URBAN/SUBURBAN: A small amount of 3-methyl-1-butene, in the range of 0-2 ppbV, was identified in the Los Angeles air during Septr 29-Nov 13, 1981(1). A mean concentration of 0.9 mg/cu m of 3-methyl-1-butene was measured in the ambient air samples collected during March 20, 1996 to April 16, 1997 in Porto Alegre, Brazil(2). 3-Methyl-1-butene was detected in the ambient atmosphere in city of Lancaster, Northwest England during May-July 1983 with a mean concentration of 38.3 ppbC(3).RURAL/REMOTE: 3-Methyl-1-butene was a minor component of C2-C6 hydrocarbons measured in rural Northwest England during May-July 1983(1). Mean concentration of 3-methyl-1-butene detected was <0.5 ppbC.
Artificial Pollution Sources3-Methyl-1-butene's production and use as an intermediate in the manufacture of high-octane fuel and petroleum resins may result in its release to the environment through various waste streams(1). It is emitted in vehicular exhaust from both gasoline and diesel engines(2,3).
Environmental Biodegradation3-Methyl-1-butene's linear, relatively low molecular weight, hydrocarbon structure suggests that biodegradation in soil and water is expected to be an important fate process(1).
DHS Chemicals of Interest (COI)3-Methyl-1-butene10000Flammable chemical that can be released at a facility.