2-(1-プロペニル)フェノール
2-(1-プロペニル)フェノール · β-メチル-o-ヒドロキシスチレン · 2-プロペニルフェノール、CIS体およびTRANS体混合物 · β-メチル-2-ヒドロキシスチレン · 2-(プロパ-1-エン-1-イル)フェノール · (E)-2-(prop-1-en-1-yl)phenol · Brn 2324090 · Einecs 228-961-3
識別子と物理属性
| CAS No. | 6380-21-8 |
|---|---|
| 分子式 | C9H10O |
| 平均分子量 | 134.17 g/mol |
| 単同位体質量 | 134.07316494 g/mol |
| SMILES | CC=Cc1ccccc1O |
| InChIKey | WHGXZPQWZJUGEP-UHFFFAOYSA-N |
| PubChem CID | 93029 |
| EC No. | 228-961-3 |
| DTXSID | DTXSID70871163 |
| 現地名 | 2-(1-プロペニル)フェノール |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 118 |
| 物質分類 | Other Classes -> Phenols |
| Physical Description | Colorless viscous liquid[Sigma-Aldrich MSDS] |
| 融点 | -6°C |
| 沸点 | 230-231 °C(lit.) |
| 密度 | 1.044 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.578(lit.) |
| 引火点 | 195 °F |
| InChI | InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3 |
| InChIKey | WHGXZPQWZJUGEP-GORDUTHDSA-N |
| SMILES | C1(O)=CC=CC=C1C=CC |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Phenol, 2-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | SM8575000 |
| 輸送番号（UN） | UN 3145 8/PG 3 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36/37/39 |
| 危険等級 | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
説明
2-Propenylphenol, a mixture of cis and trans, is extensively employed in chemical research. 2-Propenylphenol, a Mixture Of Cis And Trans, is studied for its ability to polymerize and develop new polymeric materials with specific mechanical and chemical properties. It is utilized to investigate the effects of geometric isomerism on organic compounds' physical and chemical behaviour. The mixture′s role in synthesising advanced organic molecules, particularly those with potential applications in high-performance coatings and adhesives, is also a significant area of study.
一般的な説明
2-Propenylphenol on reaction with 2, 3-dichloro-5, 6-dicyanobenzoquinone yields spiropyran.
製法・合成法
純化方法
Crystallise the phenol from water. [Beilstein 6 III 2394, 6 IV 3796.]