基本情報
- CAS
2174-16-5- 標準SMILES
O=C(O)c1ccccc1O.OCCN(CCO)CCO- InChIKey
UEVAMYPIMMOEFW-UHFFFAOYSA-N- 分子式
- C13H21NO6
- 平均分子量
- 287.31 g/mol
- 単同位体質量
- 287.13688739
名称と識別子
- 優先名称
- Trolamine Salicylate
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
- 現地名
- トリエタノールアミン·サリチル酸
- 英語名
- Triethanolamine salicylate
- 分子式
- C13H21NO6
- 分子量
- 287.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
2174-16-5- PubChem CID
- 25213
- DTXSID
DTXSID4047969- ChEMBL
CHEMBL2107288- UNII
- H8O4040BHD
- EC Number
- 218-531-3
物性
構造計算による物性
- 極性表面積
- 121 Ų
- 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
実験および物理化学的性質
物理化学的性質
- 比重(密度)
- 1.209 g/mL · 1.209 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.509
- 闪点
- 113 °C · 113 °C
- 臭い (Odor)
- 鈍く、気持が良く、甘い臭い
- BRN
- 7451205 · 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)10;8-4-1-7(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
- -1.108 · -1.108 (est)
- CAS データベース
- 2174 · 2174-16-5(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Benzoic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (2174-16-5)
化学的性質
化学的特性pale yellow to amber crystalline solid
安全と法規制
GHS分類
GHS Classification
Warning
H302 (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 exposure; Respiratory 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.
危険有害性情報
毒性情報
Toxicity Summary
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
法規制情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29225000
- risk_code
- 20/21/22-36/37/38-22
- hazard_code
- Xn
- safety_code
- 24/25-36-26
化学と産業
薬理情報
Pharmacodynamics
Trolamine salicylate is a salicylate that inhibits cyclo-oxygenase (COX) enzymes responsible for generating pro-inflammatory factors such as to induce pain and inflammation. It is thought to mediate its analgesic effect through inhibition of COX-2 enzyme, which is an induced enzyme responsible for inflammatory responses and pain in muscle and joint disorders. By inhibiting fatty acid COX enzyme, trolamine salicylate inhibits the production of prostaglandins and thromboxanes in inflammatory cells involved in generating pain and inflammation. It thereby works to temporarily reduce mild to moderate pain. In subjects with muscle soreness from exercise, administration of topical trolamine salicylate was associated with reduced duration and severity of muscule soreness compared to placebo. In subjects with osteoarthritis in hands, trolamine salicylate cream was shown to be effective in achieving temporary relief of minor pain and stiffness.
Mechanism of Action
Inflammation and tissue damage in different conditions including arthritis, bursitis, joint disorder, bruises, and strains or sprains of muscle origin, induce mild to moderate pain and are associated with increase prostaglandin synthesis. This is thought to be a result of COX-2 enzyme induction. COX-2 is induced in inflammatory cells in case of cell injury, infection or activation from inflammatory cytokines such as interleukin (IL)-1 and tumor necrosis factor (TNF)-α. Upon activation, COX-2 produces prostanoid mediators of inflammation such as prostaglandins and thromboxanes. Trolamine salicylate mediates its analgesic effect by inhibiting the production of inflammatory mediators that sensitize nociceptive nerve endings and generate pain.
Absorption, Distribution and Excretion
Following topical administration of 10% trolamine salicylate in healthy volunteers, salicylic acid could not be detected in serum indicating low systemic absorption.
Following topical administration of 10% trolamine salicylate in healthy volunteers, urinary recovery of total salicylate during the first 24 hours was 6.9 mg (p < 0.05), which is 1.4% of total dose.
Topical administration of 1 gram of 10% trolamine salicylate in abdominal rat skin resulted in an approximate extravascular volume of distribution (V/F) of 24.0 mL.
用途と製造
応用分野
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).
上流・下流製品情報
上流原料
サプライヤー36 社
補足説明
定義本品は、サリチル酸(*)とトリエタノールアミン(TEA(*))の塩で、次の化学式で表される。参照表示名称:サリチル酸, TEA
関連反応
化合物ノート
読み込み中…