化工社化工社 化学情報印刷レポート · 研究参考用
α-メチルスチレン
α-メチルスチレン · 1-メチルビニルベンゼン · (1-メチルビニル)ベンゼン · 2-フェニル-1-プロペン · (1-プロペン-2-イル)ベンゼン · (1-メチルエテニル)ベンゼン · 1-メチル-1-フェニルエテン · 2-フェニル-2-プロペン
識別子と物理属性
| CAS No. | 98-83-9 |
|---|---|
| 分子式 | C9H10 |
| 平均分子量 | 118.18 g/mol |
| 単同位体質量 | 118.07825032 g/mol |
| SMILES | C=C(C)c1ccccc1 |
| InChIKey | XYLMUPLGERFSHI-UHFFFAOYSA-N |
| PubChem CID | 7407 |
| ChEMBL | CHEMBL1344773 |
| ChEBI | CHEBI:35060 |
| EC No. | 202-705-0 |
| DTXSID | DTXSID9025661 |
| 現地名 | α-メチルスチレン |
化学・物理的性質
| XLogP | 3.5 |
|---|---|
| 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 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 96.6 |
| 物質分類 | Flammable agents - 2nd degreeIndustrial compound |
| Polymers | Plastics & Rubber -> Styrenes |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | log Kow= 3.483.38 |
| 臭い | ... Characteristic odor.Sharp aromatic odor |
| 密度 | 0.91 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9106Critical volume, 3.26 ml/gcritical density, 0.29 g/mlspecific heat of liquid, 2.0460 J/g deg K at 40 °C, & 2.1757 J/g deg K at 100 °Cspecific heat of vapor, 1.2357 J/g deg K at 25 °Cheat of formation of liquid, 112.97 kJ/mol at 25 °Cheat of polymerization, 39.75 kJ/molcubical coefficient of expansion, 9.774X10-4 at 20 °CRelative density (water = 1): 0.910.913 @ 17°C0.909 g/mL at 25 °C(lit.) |
| Viscosity | 0.940 cP @ 20 °C |
| Color/Form | Colorless liquid ... |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992)SOL IN ALCSOL IN ALL PROPORTIONS IN ACETONE, CARBON TETRACHLORIDESol in benzene, chloroformSol in etherSol in n-heptane, ethanolIn water, 116 mg/l @ 25 °C560mg/l不溶性 |
| 引火点 | 129 °F (NTP, 1992)84 °C83.89 °C (CLOSED CUP)57.8 °C (Cleveland open-cup)54 °C114 °F |
| 沸点 | 329.7 °F at 760 mmHg (NTP, 1992)165.4 °C164 °C330 °F165-169 °C(lit.) |
| Decomposition | When heated to decomposition, it emits acrid smoke & fumes. |
| 融点 | −24 °C(lit.) |
| 蒸気密度 | 4.1 (vs air) |
| 蒸気圧 | 2.1 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.539 |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 5-6 (500g/l, H2O) |
| 爆発限界 | 0.9-6.6%(V) |
| BRN | 969405 |
| ヘンリー定数 | 3.9×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 誘電率 | 2.2799999999999998 |
| InChI | 1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3 |
| InChIKey | XYLMUPLGERFSHI-UHFFFAOYSA-N |
| SMILES | CC(=C)c1ccccc1 |
| LogP（分配係数） | 3.48 at 25℃ |
| CAS データベース | 98-83-9(CAS DataBase Reference) |
| NISTの化学物質情報 | «alpha»-Methylstyrene(98-83-9) |
| EPAの化学物質情報 | .alpha.-Methylstyrene (98-83-9) |
化学的特性
clear colourless liquid
安全性と法規制
| GHS 分類 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)DangerH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Benzene, (1-methylethenyl)-Hazard Traits - CarcinogenicityCouncil Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))Benzene, (1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (1-methylethenyl)- 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: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15309Benzene, (1-methylethenyl)-: HSNO Approval: HSR001181 Approved with controls |
| その他の安全情報 | IMAP assessments - Benzene, (1-methylethenyl)-: Human health tier II assessment |
| 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.Flammable. Above 54 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | Moderate fire risk.Readily ignites on slight heating.Flammable |
| 健康有害性 | Inhalation causes irritation of respiratory tract, headache, dizziness, light-headedness, and breathlessness. Ingestion causes irritation of mouth and stomach. Contact with liquid irritates eyes. Prolonged skin contact can cause severe rashes, swelling, and blistering. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
用途
用途
ABS(アクリロニトリルブタジエンスチレン)樹脂の耐熱?耐衝撃性の強化剤重合原料,ポリエステル樹脂?アルキッド樹脂改良剤重合原料、NITE初期リスク評価書;ABS樹脂の耐熱?耐衝撃性強化用改質剤、化学工業日報社
用途
耐熱ABSで、スチレンの代わりに使用される。また、顔料，塗料 接着剤等有機化合物の原料として、また、ゴムやプラスチックの添加剤として使用される。
使用
Polymerization monomer, especially forpolyesters.
一般的な説明
A colorless liquid. Insoluble in water and less dense than water. Flash point 115°F. May be mildly toxic by ingestion, inhalation and skin absorption. Vapors may be narcotic by inhalation. Used as a solvent and to make other chemicals.
製法・合成法
調製方法
α-Methylstyrene (AMS) is produced as a by-product in the production of phenol and acetone from cumene.
純化方法
Wash the monomer three times with aqueous 10% NaOH (to remove inhibitors such as quinol), then six times with distilled water, dry with CaCl2 and distil it unde