スチレンオキシド
スチレンオキシド · フェネチレンオキシド · オキシラニルベンゼン · 1-フェニル-1,2-エポキシエタン · エポキシスチレン · スチレン-7,8-オキシド · スチレンエポキシド · 1-(オキシラニル)ベンゼン

識別子と物理属性
| CAS No. | 96-09-3 |
|---|---|
| 分子式 | C8H8O |
| 平均分子量 | 120.15 g/mol |
| 単同位体質量 | 120.05751488 g/mol |
| SMILES | c1ccc(C2CO2)cc1 |
| InChIKey | AWMVMTVKBNGEAK-UHFFFAOYSA-N |
| PubChem CID | 7276 |
| ChEMBL | CHEMBL1605493 |
| ChEBI | CHEBI:17907 |
| EC No. | 202-476-7 |
| DTXSID | DTXSID2021286 |
| 現地名 | スチレンオキシド |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 12.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 94.7 |
| 物質分類 | Hazardous Air Pollutants (HAPs)Carcinogens |
| Polymers | Plastics & Rubber -> Epoxides |
| LogP(分配係数) | log Kow = 1.611.84 |
| 臭い | Sweet, pleasant |
| 密度 | 1.0523 at 61 °F (NTP, 1992) - Denser than waterwill sink1.0490 g/ cu cm at 25 °CStyrene oxide (98 mole % pure) is available in USA with following specifications: density, 1.0490-1.0515 (25/25 °C)distillation range at 760 mm: fraction between 5 and 95% by vol shall boil within 3.0 °C range, which includes temp 194.1 °Cwater, 0.25% by wt.Relative density (water = 1): 1.051.046 @25 °C1.054 g/mL at 25 °C (lit.) |
| Viscosity | 1.99 cP at 20 °C |
| Color/Form | Colorless to pale straw-colored liquid |
| 溶解度 | less than 1 mg/mL at 67.1 °F (NTP, 1992)Completely soluble in acetone, benzene, carbon tetrachloride, ethyl ether, heptane, methanol0.3% wt in waterSolubility in water, g/100ml at 25 °C: 0.3 (poor)3g/リットル3g/L(20℃) |
| 引火点 | 175 °F (NTP, 1992)76 °C165 °F (74 °C) (Open cup)76 °C c.c. |
| 沸点 | 381 °F at 760 mmHg (NTP, 1992)194.1 °C194 °C194.2 °C @760 [mm Hg]194 °C (lit.) |
| 融点 | -35 °F (NTP, 1992)-35.6 °C-36.7 °C-37 °C (lit.) |
| 蒸気密度 | 4.14 (NTP, 1992) - Heavier than airwill sink (Relative to Air)4.30 (Air = 1)Relative vapor density (air = 1): 4.304.14 (vs air) |
| 蒸気圧 | <1 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.535(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色透明~微黄色透明 |
| 由来生物 | synthetic |
| 爆発限界 | 1.1-22%(V) |
| BRN | 108582 |
| ヘンリー定数 | 6.2×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 不安定 - 酸、塩基、または特定の塩の存在下で、酸やアルコールなどの不安定な水素を持つ化合物と容易に重合します。可燃性。強力な酸化剤、酸、塩基とは相容れない。 |
| 主な用途 | フレーバーそして香料 |
| InChI | 1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 |
| InChIKey | AWMVMTVKBNGEAK-UHFFFAOYSA-N |
| SMILES | C1OC1c2ccccc2 |
| LogP(分配係数) | 1.61 |
| CAS データベース | 96-09-3(CAS DataBase Reference) |
| NISTの化学物質情報 | Oxirane, phenyl-(96-09-3) |
| EPAの化学物質情報 | Styrene oxide (96-09-3) |
化学的特性
Styrene oxide is a colorless to pale strawcolored liquid. Pleasant, sweet odor.
安全性と法規制
| GHS 分類 | DangerH312: Harmful in contact with skin [Warning Acute toxicity, dermal]P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 4.3% (16 of 374) of reports.H311 (15%): Toxic in contact with skin [Danger Acute toxicity, dermal] |
|---|---|
| 規制情報 | Chemical: Oxirane, phenyl-Hazard Traits - CarcinogenicityDermatotoxicityHepatotoxicity and Digestive System ToxicityNeurotoxicityOcular ToxicityReproductive ToxicityRespiratory ToxicityStatus: Active Update: 10-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14585Phenylethylene oxide: Does not have an individual approval but may be used under an appropriate group standardThe 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 - Oxirane, phenyl-: Environment tier I assessment |
| 輸送ラベル(DOT) | Poison |
| 火災危険 | This chemical is combustible. (NTP, 1992)Combustible. Above 76 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | On ... basis /of flash point/, it presents hazard of flammability similar to that encountered with ... o-cresol, o-dichlorobenzene, naphthalene, phenol, and dimethylaniline. Definite hazard exists whenever ... /it/ is heated to temperatures at and above the flash point. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include severe irritation of the skin and eyes, and skin sensitization. It can cause corrosion of tissues. Other symptoms may include burns, irritation of mucous membranes and upper respiratory tract, nausea, vomiting and headaches. Exposure may also cause central nervous system depression, hepatic lesions and pain to the eyes. Symptoms of exposure to a related compound include drying and cracking of the skin on contact, primary irritation to mucosal surfaces, fatigue, weakness, depression, unsteadiness, feeling of drunkenness, abnormal electroencephalograms and one case of toxic retrobulbar neuritis. Chronic exposure to a related compound has caused peripheral neuropathies (distal hypesthesia and decreased nerve conduction velocities). |
用途
用途
フェニルエチルアルコール?フェニルアラニンなどの原料?合成樹脂原料?香料
用途
有機合成原料。
使用
Styrene oxide is is an important intermediate for organic synthesis and is widely used in organic synthesis, pharmaceutical preparation, and perfume production. For example, styrene oxide is added to hydrogen to produce monophenylethanol under the action of a catalyst. Styrene oxide has a wide range of uses, and can be used in floral fragrances for daily use, as well as in food. Styrene oxide is also an important intermediate for the synthesis of levamisole hydrochloride. L-imidazole hydrochloride is a broad-spectrum intestinal repellent that can be used by humans and animals.
一般的な説明
Styrene oxide is a clear colorless straw-colored liquid with a sweet pleasant odor. (NTP, 1992)
製法・合成法
純化方法
Fractional distillation under reduced pressure does not remove phenylacetaldehyde. If this material is present, the styrene oxide is treated with hydrogen under 3 atmospheres pressure in the presence of platinum oxide. The aldehyde, but not the oxide, is reduced to .-phenylethanol, and separation is now readily achieved by fractional distillation. [Schenck & Kaizermen J Am Chem Soc 75 1636 1953, Beilstein 17/1 V 577.]