化工社化工社 化学情報印刷レポート · 研究参考用
4-メチルベンゾフェノン
4-メチルベンゾフェノン · フェニルp-トリルケトン · p-フェニルトリルケトン · (4-メチルフェニル)フェニルメタノン · (p-トリル)フェニルケトン · 4-メチルフェニル(フェニル)ケトン · フェニル(4-メチルフェニル)ケトン · 4'-メチルベンゾフェノン
識別子と物理属性
| CAS No. | 134-84-9 |
|---|---|
| 分子式 | C14H12O |
| 平均分子量 | 196.24 g/mol |
| 単同位体質量 | 196.088815 g/mol |
| SMILES | Cc1ccc(C(=O)c2ccccc2)cc1 |
| InChIKey | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| PubChem CID | 8652 |
| ChEMBL | CHEMBL371531 |
| EC No. | 205-159-1 |
| DTXSID | DTXSID9037741 |
| 現地名 | 4-メチルベンゾフェノン |
化学・物理的性質
| XLogP | 3.8 |
|---|---|
| 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 | 2 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 207 |
| 物質分類 | Other Classes -> Benzophenones |
| SpringerMaterials Properties | Boiling point |
| Physical Description | LiquidLarge CrystalsOff-white crystalline powder[Alfa Aesar MSDS] |
| 融点 | 56.5-57 °C (lit.) |
| 沸点 | 326 °C (lit.) |
| 密度 | 0.9926 |
| 蒸気圧 | 0.059Pa at 25℃ |
| 屈折率 | 1.5920 (estimate) |
| 引火点 | 143 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | クロロホルム（微量）、メタノール（微量）水に不溶。 |
| 外観・状態 | 結晶性粉末または結晶 |
| 色 | 白からベージュ |
| 臭い | 微かな匂い |
| Merck | 14,7317 |
| BRN | 1909310 |
| 主な用途 | 洗浄剤化粧品フレーバーそして香料食品および飲料パーソナルケア医薬品 |
| 化粧品成分の機能 | 光安定剤 |
| InChI | 1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)C(=O)c2ccccc2 |
| LogP（分配係数） | 3.69 at 25℃ |
| CAS データベース | 134-84-9(CAS DataBase Reference) |
| NISTの化学物質情報 | Methanone, (4-methylphenyl)phenyl-(134-84-9) |
| EPAの化学物質情報 | 4-Methylbenzophenone (134-84-9) |
化学的特性
white to beige crystalline powder or crystals
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 76.4% (2135 of 2794) of all reports.WarningH302 (15.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2794 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 4-methylbenzophenoneRegulation (EC) No 178/2002 (amended)Methanone, (4-methylphenyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (4-methylphenyl)phenyl- 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: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21484Methanone, (4-methylphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Intraperitoneal LD50 (mouse) = 250 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (15.8%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DJ1750000 |
| 税関コード | 29143990 |
| 危険文句（R） | 22-36/38-36/37/38 |
| 化審法 | (9)-2127 |
| 危険表示 | Xi |
| hazard_note | Harmful/Irritant |
| 安全措置（S） | 24/25-36-26 |
| 危険等級 | Aquatic Chronic 2STOT RE 2 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
使用
4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish.
一般的な説明
4-Methylbenzophenone is a photo-initiator for printing inks, mainly applied to the cardboard boxes used for packing. It is reported to be a non-genotoxic carcinogen. However, it can contaminate foodstuffs when it comes in contact with the package contents.
製法・合成法
純化方法
Crystallise the ketone from MeOH, Et2O (m 58-59o) or pet ether. The cis-oxime has m 154o(153-156o) (from EtOH), and the trans-oxime has m 114-116o (from pet ether). [Beilstein 7 H 440, 7 III 2127, 7 IV 1403.]