化工社化工社 化学情報印刷レポート · 研究参考用
2,6-ジ-tert-ブチル-4-ヒドロキシメチルフェノール
2,6-ジ-tert-ブチル-4-ヒドロキシメチルフェノール · 4-ヒドロキシ-3,5-ジ-tert-ブチルベンジルアルコール · ブチル化ヒドロキシメチルフェノール · 3,5-ビス(1,1-ジメチルエチル)-4-ヒドロキシベンジルアルコール · 3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンメタノール · イオノックス100抗酸化剤 · 4-(ヒドロキシメチル)-2,6-ジ(tert-ブチル)フェノール · 2,6-ビス(tert-ブチル)-4-(ヒドロキシメチル)フェノール
識別子と物理属性
| CAS No. | 88-26-6 |
|---|---|
| 分子式 | C15H24O2 |
| 平均分子量 | 236.35 g/mol |
| 単同位体質量 | 236.17763 g/mol |
| SMILES | CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O |
| InChIKey | HNURKXXMYARGAY-UHFFFAOYSA-N |
| PubChem CID | 6929 |
| ChEMBL | CHEMBL225220 |
| ChEBI | CHEBI:173703 |
| EC No. | 201-815-6 |
| DTXSID | DTXSID7020211 |
| 現地名 | 2,6-ジ-tert-ブチル-4-ヒドロキシメチルフェノール |
化学・物理的性質
| XLogP | 4 |
|---|---|
| 極性表面積 | 40.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 3 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 223 |
| 融点 | 141 °C139-141 °C(lit.) |
| Physical Description | Solid |
| Kovats Retention Index | 1781.4 |
| 沸点 | 214°C 40mm |
| 密度 | 0.9845 (rough estimate) |
| 蒸気圧 | 0Pa at 20℃ |
| 屈折率 | 1.5542 (estimate) |
| 引火点 | 214°C/40mm |
| 貯蔵条件 | 2-8°C |
| 溶解度 | Insoluble in water |
| pKa（酸解離定数） | 12.01±0.40(Predicted) |
| 外観・状態 | Solid:particulate/powder |
| 色 | White to Yellow to Orange |
| BRN | 2052291 |
| InChI | 1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3 |
| InChIKey | HNURKXXMYARGAY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C |
| LogP（分配係数） | 3.16 at 20℃ |
| CAS データベース | 88-26-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6) |
| EPAの化学物質情報 | 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6) |
化学的特性
White, crystalline powder.No odor. Partially soluble in methanol, ethanol, and acetone; insoluble in water. Combustible.
安全性と法規制
| GHS 分類 | WarningH315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (95.6%)Eye Irrit. 2 (95.6%)STOT SE 3 (93.3%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DO0750000 |
| 毒性 | LDLo oral in mouse: 7gm/kg |
| 税関コード | 29072990 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (3)-542, (3)-1079 |
| 危険表示 | Xi |
| 安全措置（S） |
用途
用途
保存料等、酸化防止剤
使用
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is an antioxidant used alone or in combination with other permitted antioxidants. The total amount of all antioxidants added to food must not exceed 0.02% of the oil or fat content of the food, including the essential (volatile) oil content of the food.