エチルベンゼン
エチルベンゼン · エチルベンゼン (1mg/mlメタノール溶液) [水質分析用] · エチルベンゼン CRM4021-A · エチルベンゼン標準品 · エチルベンゼン CRM4021‐A · エチルベンゼン PURISS. P.A.,≥99.0% (GC) · エチルベンゼン REAGENTPLUS,99% · フェニルエタン

識別子と物理属性
| CAS No. | 100-41-4 |
|---|---|
| 分子式 | C8H10 |
| 平均分子量 | 106.16 g/mol |
| 単同位体質量 | 106.07825032 g/mol |
| SMILES | CCc1ccccc1 |
| InChIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
| PubChem CID | 7500 |
| ChEMBL | CHEMBL371561 |
| ChEBI | CHEBI:16101 |
| EC No. | 202-849-4 |
| DTXSID | DTXSID3020596 |
| 現地名 | エチルベンゼン |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 51 |
| LogP(分配係数) | log Kow = 3.15 |
| 臭い | Aromatic odorPungent odorSweet, gasoline-like odor芳香族。 |
| 密度 | 0.867 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8626 g/cu cm at 25 °CDensity of saturated vapor-air mixture at 760 mm Hg (air= 1): 1.03 (26 °C)specific dispersion: 174.6Cricital density: 2.67 mmol/cu mcritical volume: 374.0 cu m/molRelative density (water = 1): 0.90.870.867 g/mL at 25 °C(lit.) |
| Viscosity | 0.64 cP at 25 °C0.6 mm²/s at 25 °C |
| Color/Form | Colorless liquid |
| 溶解度 | less than 1 mg/mL at 73 °F (NTP, 1992)In water, 170 mg/L at 25 °C (average of 16 literature ranging from 131-212 mg/L at 25 °C)In water, 169 mg/L at 25 °CIn water, 0.014 g/100 mL at 15 °CSoluble in all proportions in ethyl alcohol and ethyl etherFor more Solubility (Complete) data for ETHYLBENZENE (8 total), please visit the HSDB record page.0.2g/リットル0.0206g/100mL |
| 引火点 | 59 °F (NTP, 1992)12.8 °C15.0 °C (59.0 °F) - closed cup64 °F (18 °C) - closed cup70 °F (21 °C) - closed cup18 °C c.c.72 °F |
| 沸点 | 277.2 °F at 760 mmHg (NTP, 1992)136.2 °C136 °C277 °F136.2 °C @760 [mm Hg]136 °C(lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides.When heated to decomposition it emits acrid smoke and irritating fumes. |
| 融点 | -139 °F (NTP, 1992)-94.95 °C-95 °C-94.9 °C−95 °C(lit.) |
| 蒸気密度 | 3.66 (NTP, 1992) - Heavier than airwill sink (Relative to Air)3.66 (Air = 1)Relative vapor density (air = 1): 3.73.7 (vs air) |
| 臭気閾値 | Odor Threshold Low: 0.09 [ppm]Odor Threshold High: 0.6 [ppm]Odor threshold from AIHA140 ppm /Purity not specified/2-2.6 mg/cu mdetection: 0.4 mg/cu m /Purity not specified/Odor Low: 8.7 mg/cu m, Odor High: 870.0 mg/cu m |
| 蒸気圧 | 28.69 psi ( 55 °C) |
| 屈折率 | n20/D 1.495(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色 |
| 爆発限界 | 1.0-7.8%(V) |
| 臭気閾値 | 0.17ppm |
| 凝固点 | -95℃ |
| 比熱容量 | Cp(liquid): 1.73 J/(g·K), at 25℃ |
| Merck | 14,3765 |
| BRN | 1901871 |
| ヘンリー定数 | 13.9(x 10-3 atmm3/mol) at 45.00 °C, 15.1 at 50.00 °C, 17.1 at 55.00 °C, 20.1 at 60.00 °C, 20.9 at 65.00 °C, 22.7 at 70.00 °C, 34.3 at 80.00 °C (static headspace-GC, Park et al., 2004) |
| 誘電率 | 2.5(20℃) |
| 安定性 | 安定。酸化剤と相容れない。可燃性。 |
| 化粧品成分の機能 | 香料 |
| InChI | 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
| SMILES | CCc1ccccc1 |
| LogP(分配係数) | 3.03-3.6 at 20℃ |
| 表面張力 | 28.79mN/m at 298.15K |
| CAS データベース | 100-41-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Ethylbenzene(100-41-4) |
| EPAの化学物質情報 | Ethylbenzene (100-41-4) |
化学的特性
Ethylbenzene is a colorless liquid. Pungent aromatic odor. The Odor Threshold is 0.0920.60 ppm
化学性质
芳香族炭化水素の一种で,繊維,樹脂,洗剤および各種有機薬品類などの基幹工業原料として重要である。
安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P301+P316, P303+P361+P353, P304+P340, P317, P319, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 7017) of reports. |
|---|---|
| 規制情報 | Chemical: Benzene, ethyl-Hazard Traits - CarcinogenicityDevelopmental ToxicityEndocrine ToxicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityOcular ToxicityRespiratory ToxicityAuthoritative List - ATSDR NeurotoxicantsCA MCLsCA TACsCWA 303(c)CWA 303(d)IARC Carcinogens - 2BOEHHA RELsProp 65Report - regardless of intended function of ingredient in the productBenzene, ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, ethyl- 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: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15377Status: No longer Valid Update: 24-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7855Benzene, ethyl-: HSNO Approval: HSR001151 Approved with controlsThe 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.) |
| その他の安全情報 | IMAP assessments - Benzene, ethyl-: Environment tier I assessment |
用途
解説
C8H10(106.17).C6H5C2H5.石油精製の際のキシレン留分中に含まれるが,ベンゼンにエテンをフリーデル-クラフツ付加させて製造される.無色の液体.融点-94.4 ℃,沸点136 ℃.d2040.8671.n20D1.4960.引火点20 ℃.多くの有機溶剤とまざる.脱水素してスチレンを製造する.[CAS 100-41-4]森北出版「化学辞典(第2版)
用途
スチレンモノマー合成原料,有機合成原料,塗料?インキ?接着剤溶剤、NITE初期リスク評価書;スチレン原料,有機合成原料、SRI:CHEMICAL ECONOMICS HANDBOOK;スチレンモノマー原料,有機合成原料,溶剤,ラッカーの希釈剤、化学工業日報社
用途
エチルベンゼンは,水に不溶,ほとんどの有機溶媒と均一に混ざる(溶ける)。ベンゼン,トルエン,キシレンとともに主要な芳香族石油化学製品の一つであり,広範で重要な主要化学原料である。工業的には,主として,ベンゼンを酸触媒(液相法では塩化アルミニウムなど,気相法ではリン酸‐担体)を用いエチレンでアルキル化して製造される。
用途
スチレンの合成、有機合成原料、溶剤
天然物の起源
Has apparently not been reported to occur in nature.
使用
Anesthetic. Ethylbenzene is almost exclusively (> 99%) used as an intermediate for the production of styrene monomer. Less than 1 % of the ethylbenzene produced is used as a paint solvent or as an intermediate for the production of diethylbenzene and acetophenone (IARC 2000). Ethylbenzene is a constituent (15-20%) of commercial xylene (“mixed xylenes”), and hence used as a component of solvents, as a diluent in paints and lacquers, and as a solvent in the rubber and chemical manufacturing industries (WHO 1996). Ethylbenzene has been added to motor and aviation fuels because of its anti-knock properties. Estimates of ethylbenzene in gasoline have ranged from <1-2.7%. (IARC 2000).
一般的な説明
A clear colorless liquid. Flash point 59°F. Less dense than water (at 7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent and to make other chemicals.Sweet. but somewhat "gassy" odor. If at all reminiscent of any natural material, it would be a Hyacinth-type of gassy sweetness.
使用用途
エチルベンゼンは低級アルキルベンゼンの一種です。一般的にはエチレンとベンゼンを原料とした触媒反応によって作られていますが、キシレンから分離することで製造することもあります。 エチルベンゼンは主にスチレンモノマーの原料として使われています。その他に、塗料や、インキなどの溶剤としても用いられています。また、上記の通りキシレンにもエチルベンゼンは一定量含まれており、灯油やガソリンにも1%程度含まれています。
製法・合成法
調製方法
Ethylbenzene is produced by alkylation of benzene with ethylene, except for a very small fraction that is recovered from mixed C8 aromatics by superfractionation. The reaction takes place on acidic catalysts and can be carried out either in the liquid or vapor phase.
製造方法
By Friedel-Crafts reaction on benzene, ethylbromide and aluminium chloride (Arc tander, 1969). Ethylbenzene is manufactured by alkylation from benzene and ethylene.
合成方法
重質ナフサを原料とした接触改質装置からの改質油(リフォーメート)を用いて製造される。