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トリエタノールアミン·サリチル酸
トリエタノールアミン·サリチル酸 · サリチル酸·2,2',2''-ニトリロトリスエタノール · トリス(2-ヒドロキシエチル)アミン·2-ヒドロキシ安息香酸 · 2,2',2''-ニトリロトリスエタノール·2-ヒドロキシ安息香酸 · サリチル酸·トリエタノールアミン · トロラミン·サリチル酸 · サリチル酸TEA · トロールアミン サリチラート
識別子と物理属性
| CAS No. | 2174-16-5 |
|---|---|
| 分子式 | C13H21NO6 |
| 平均分子量 | 287.31 g/mol |
| 単同位体質量 | 287.13688739 g/mol |
| SMILES | O=C(O)c1ccccc1O.OCCN(CCO)CCO |
| InChIKey | UEVAMYPIMMOEFW-UHFFFAOYSA-N |
| PubChem CID | 25213 |
| ChEMBL | CHEMBL2107288 |
| EC No. | 218-531-3 |
| DTXSID | DTXSID4047969 |
| 現地名 | トリエタノールアミン·サリチル酸 |
化学・物理的性質
| 極性表面積 | 121 |
|---|---|
| 水素結合供与体数 | 5 |
| 水素結合受容体数 | 7 |
| 回転可能結合数 | 7 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 189 |
| 溶解度 | Soluble |
| 沸点 | Decomposes |
| 融点 | 50 |
| 密度 | 1.209 g/mL at 25 °C |
| 屈折率 | n20/D 1.509 |
| 引火点 | 113 °C |
| 臭い | 鈍く、気持が良く、甘い臭い |
| BRN | 7451205 |
| 化粧品成分の機能 | 防腐剤UVフィルター光安定剤 |
| InChI | InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)108-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10)8-10H,1-6H2 |
| InChIKey | UEVAMYPIMMOEFW-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1O)(=O)O.N(CCO)(CCO)CCO |
| LogP（分配係数） | -1.108 (est) |
| CAS データベース | 2174-16-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzoic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (2174-16-5) |
化学的特性
pale yellow to amber crystalline solid
安全性と法規制
| GHS 分類 | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 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: Benzoic acid, 2-hydroxy-, compound with 2,2',2''-nitrilotris[ethanol] (1:1) |
| その他の安全情報 | IMAP assessments - Benzoic acid, 2-hydroxy-, compound with 2,2',2''-nitrilotris[ethanol] (1:1): Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 毒性の概要 | The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)...TEA-Salicylate...Safe for use in cosmetics, with qualifications |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29225000 |
| 危険文句（R） | 20/21/22-36/37/38-22 |
| 危険表示 | Xn |
| 安全措置（S） | 24/25-36-26 |
用途
使用
TriethanolaMine salicylate can be used as intermediate in the manufacture of surface active agents, textile specialties, waxes, polishes, herbicides, petroleum demulsifiers, toilet goods, cement additives, cutting oils. In making emulsions with mineral and vegetable oils, paraffin and waxes. Solvent for casein, shellac, dyes; manufacture of synthetic resins; increasing the penetration of organic liquids into wood and paper. In the production of lubricants for the textile industry. Pharmaceutic aid (alkalizer).