化工社化工社 化学情報印刷レポート · 研究参考用
1-インダノン
1-インダノン · インダン-1-オン · 2,3-ジヒドロ-1H-インデン-1-オン · 1-ケトヒドリンデン · α-ヒドロインドン · 1-ヒドロインドン · 1-ケトヒドロインデン · α-ヒドリンドン
識別子と物理属性
| CAS No. | 30286-23-8 |
|---|---|
| 分子式 | C9H8O |
| 平均分子量 | 132.16 g/mol |
| 単同位体質量 | 132.05751488 g/mol |
| SMILES | O=C1CCc2ccccc21 |
| InChIKey | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| PubChem CID | 6735 |
| ChEBI | CHEBI:17404 |
| EC No. | 201-470-1 |
| DTXSID | DTXSID1058892 |
| 現地名 | 1-インダノン |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 極性表面積 | 17.1 |
| 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 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 151 |
| 物質分類 | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Off-white crystalline solid[Alfa Aesar MSDS] |
| 融点 | 38-40 °C(lit.) |
| 沸点 | 243-245 °C(lit.) |
| 密度 | 1.103 g/mL at 25 °C(lit.) |
| 屈折率 | 1.5610 (estimate) |
| 引火点 | 233 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 6.5g/リットル6.5g/L(20℃) |
| 外観・状態 | 結晶質量 |
| 色 | 薄黄色～茶色 |
| 臭い | Rather weak, woody and somewhat medicinal odor with an incense-like undertone. |
| 由来生物 | mouse |
| 臭気閾値 | 0.0088ppm |
| BRN | 507957 |
| 安定性 | Light sensitive |
| InChI | 1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| SMILES | O=C1CCc2ccccc12 |
| CAS データベース | 83-33-0(CAS DataBase Reference) |
| NISTの化学物質情報 | 1H-Inden-1-one, 2,3-dihydro-(83-33-0) |
| EPAの化学物質情報 | 1H-Inden-1-one, 2,3-dihydro- (83-33-0) |
化学的特性
Pale yellow liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 18.2% (4 of 22) of reports.WarningH302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 1H-Inden-1-one, 2,3-dihydro-Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/245441H-Inden-1-one, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | May cause irritationToxic by ingestion[Alfa Aesar MSDS] See 1-Tetralone. |
| Hazard Classes and Categories | Acute Tox. 4 (72.7%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29143900 |
| 危険文句（R） | 22-36/37/38 |
| 危険表示 | Xn,Xi |
| hazard_note | Irritant |
| 安全措置（S） | 22-24/25-36-26 |
| 自然発火温度 | 525 °C |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
1-Indanone is an important skeletal structure with a wide range of biological activities. Extensive research has demonstrated that 1-indanone derivatives play a significant role in the development of drugs for the treatment of Alzheimer's disease, as well as in anti-diarrhoeal, anti-proliferative, antibacterial, anti-inflammatory and anti-cancer agents[1].
使用
1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.