1-ブテン
1-ブテン · 1-ブチレン · エチルエチレン · α-ブチレン · １ブテン · n-ブテン · 1-ブテン (約10%トルエン溶液) · 1-ブテン (約10%ヘキサン溶液)
識別子と物理属性
| CAS No. | 106-98-9 |
|---|---|
| 分子式 | C4H8 |
| 平均分子量 | 56.11 g/mol |
| 単同位体質量 | 56.06260026 g/mol |
| SMILES | C=CCC |
| InChIKey | VXNZUUAINFGPBY-UHFFFAOYSA-N |
| PubChem CID | 7844 |
| ChEMBL | CHEMBL117210 |
| ChEBI | CHEBI:48362 |
| EC No. | 203-449-2 |
| DTXSID | DTXSID1026746 |
| 現地名 | 1-ブテン |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 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 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 14 |
| 物質分類 | Flammable agents - 4th degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（分配係数） | log Kow = 2.40 |
| 臭い | Slightly aromatic odorGassy, slightly aromatic odorわずかに芳香 |
| 密度 | 0.6255 at 19.9 °F (NTP, 1992) - Less dense than waterwill float0.588 g/cu cm at 25 °C, 1 atmDensity of liquid 10.47 mol/L at 298.15 Kcritical volume 0.240 L/mol0.557 @25 °C0.5951 |
| Color/Form | Colorless gas |
| 溶解度 | Insoluble (NTP, 1992)In water, 221 mg/L at 25 °CSoluble in benzenevery soluble in alcohol, etherアルコール、ベンゼン、エーテルに可溶 (Weast, 1986)25°C で 222 mg/kg (Shake Flask-GC、McAuliffe、1966) |
| 引火点 | -110 °F (NTP, 1992)80 |
| 沸点 | 21 °F at 760 mmHg (NTP, 1992)-6.47 °C at 760 mm Hg-6.3 °C @760 [mm Hg]−6.3 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| 融点 | -301.5 °F (NTP, 1992)-185.33 °C-185.3 °C−185 °C(lit.) |
| 蒸気密度 | 1.93 (NTP, 1992) - Heavier than airwill sink (Relative to Air)1.93 (Air = 1)1.93 (vs air) |
| 蒸気圧 | 1939 mm Hg ( 21.1 °C) |
| 屈折率 | 1.3962 |
| 貯蔵条件 | -20°C Freezer |
| pKa（酸解離定数） | >14 (Schwarzenbach et al., 1993) |
| 外観・状態 | ガス |
| 色 | Colorless to Almost colorless |
| 臭気閾値 | 0.36ppm |
| 爆発限界 | 9.3% |
| 凝固点 | -185.35℃ |
| 比熱容量 | Cp(liquid): 2.1 J/(g·K), at 25℃ |
| Merck | 14,1519 |
| BRN | 1098262 |
| ヘンリー定数 | (atmm3/mol): 0.25 at 25 °C (Hine and Mookerjee, 1975) |
| 安定性 | 揮発性 |
| InChIKey | VXNZUUAINFGPBY-UHFFFAOYSA-N |
| LogP（分配係数） | 2.35 at 20℃ |
| CAS データベース | 106-98-9(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Butene (106-98-9) |
化学的特性
1-Butene is a colorless, extremely flammable liquefi ed gas with an aromatic odor. It is insol uble in water and is an isomer of butane. It is highly flammable and readily forms explo sive mixtures with air. 1-Butene of high purity is made by cracking naphtha and separating it from other products by an extra-high purity distillation column. However, 1-butene is incompatible with metal salts, fl uorine, nitrogen oxides, boron trifl uoride, halogen acids, halogens, and strong oxidizing agents. It is an important organic compound in the produc tion of several industrial materials, i.e., linear low density polyethylene (LLDPE), a more fl exible and resilient polyethylene, a range of polypropylene resins, and in the production of polybutene, butylene oxide and in the C4 solvents, secondary butyl alcohol (SBA) and methyl ethyl ketone (MEK). The vapor of 1-butene is heavier than air and may travel long distances to an ignition source and fl ash back.
化学性质
熱分解温度: -6.3℃, 接触分解温度: 15.40℃
安全性と法規制
| GHS 分類 | DangerH220: 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% (2 of 1383) of reports.H220 (99.6%): Extremely flammable gas [Danger Flammable gases] |
|---|---|
| 規制情報 | Chemical: 1-ButeneChemical: ButeneButene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butene 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)1-Butene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene 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: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15510Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14810 |
| その他の安全情報 | IMAP assessments - Butene: Human health tier I assessmentIMAP assessments - 1-Butene: Human health tier I assessment |
| 輸送ラベル（DOT） | Flammable Gas |
| 火災危険 | This chemical is flammable. Vapor is heavier than air and may travel long distances to an ignition source and flash back. (NTP, 1992) |
| 火災の可能性 | Very dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| 健康有害性 | SYMPTOMS: This compound may be an asphyxiant or a slight anesthetic at high concentrations. It may also cause eye irritation. |
| 反応性グループ | Hydrocarbons, Aliphatic Unsaturated |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | The unsaturated aliphatic hydrocarbons, such as 1-BUTENE, are generally much more reactive than the alkanes. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. In the presence of various catalysts (such as acids) or initiators, compounds in this class can undergo very exothermic addition polymerization reactions. May react with oxidizing materials. Aluminum borohydride reacts with alkenes and in the presence of oxygen, combustion is initiated even in the absence of moisture. |
用途
解説
① 二重結合1個をもつ脂肪族不飽和炭化水素，C4H8．α-ブチレン，β-ブチレン，γ-ブチレンの3種の異性体がある．α-，β-は1-ブテン，2-ブテン．γ-はイソブチレン(イソブテン)が現代の名称．② 飽和炭化水素C4H10から水素2原子を除いてできる飽和の二価の基－C4H8－の名称．直鎖のものだけでも4種の異性構造があり，現代ではそれぞれの構造を間違いなく区別するような正式の名称がつけられている．
用途
SEC-ブチルアルコール?ブタジエン原料、燃料 (液化石油ガス成分) (化学工業日報社)
説明
1-Butene is a colourless, stable but polymerises exothermically, extremely flammable liquefied gas with an aromatic odour. It is insoluble in water and is one of the isomers of butane. 1-Butene readily forms explosive mixtures with air. It is incompatible with strong oxidising agents, halogens, halogen acids, metal salts, boron trifluoride, fluorine, and nitrogen oxides. 1-Butene of high purity is made by cracking naphtha and separating it from other products by an extra-high-purity distillation column. It is an important organic compound in the production of several industrial materials – for instance, linear low-density polyethylene (LLDPE), a more flexible and resilient polyethylene, and a range of polypropylene resins – and in the production of polybutene, butylene oxide, and the C4 solvents secondary butyl alcohol (SBA) and MEK. The vapour of 1-butene is heavier than air and may travel long distances to an ignition source and flash back.
使用
Butenes are used extensively in gasoline production to produce high-octane gasoline compounds.Another large use of normal butenes in the petrochemical industry is in the production of 1,3-butadiene. Butene is used in the plastics industry to make both homopolymers and copolymers. Another use of 1-butene is in the production of solvents containing four carbons such as secondary butyl alcohol and methyl ethyl ketone (MEK).
一般的な説明
Colorless gas.
製法・合成法
調製方法
Most butenes are produced in the cracking process in refineries along with other C-4 fractions such as the butanes. Butenes are separated from other compounds and each other by several methods. Isobutene is separated from normal butanes by absorption in a sulfuric acid solution. Normal butenes can be separated from butanes by fractionation. The close boiling points of butanes and butenes make straight fractional distillation an inadequate separation method, but extractive distillation can be used. Butenes can also be prepared from the dehydrogenation (elimination of hydrogen) of butane.
合成方法
ナフサ分解生成物，接触分解副生ガスから分離されて得られる。高純度の1-ブテンはエチレンの二量化による製造も可能である