기본 정보
- CAS
2174-16-5- 표준 SMILES
O=C(O)c1ccccc1O.OCCN(CCO)CCO- InChIKey
UEVAMYPIMMOEFW-UHFFFAOYSA-N- 분자식
- C13H21NO6
- 평균 분자량
- 287.31 g/mol
- 단동위원소 질량
- 287.13688739
이름 및 식별자
- 우선 이름
- Trolamine Salicylate
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
- 현지명
- 티이에이-살리실레이트
- 영어명
- Triethanolamine salicylate
- 분자식
- C13H21NO6
- 분자량
- 287.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2174-16-5- PubChem CID
- 25213
- DTXSID
DTXSID4047969- ChEMBL
CHEMBL2107288- UNII
- H8O4040BHD
- EC Number
- 218-531-3
물성
구조 계산 물성
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 189
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 1.209 g/mL · 1.209 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.509
- 인화점
- 113 °C · 113 °C
- 냄새
- 둔하고 쾌적하며 달콤한 냄새
- BRN
- 7451205 · 7451205
- 화장품 원료 기능
- 항균 방부제자외선 필터광안정기
- 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)
- EPA
- 2 · Benzoic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (2174-16-5)
화학적 성질
pale yellow to amber crystalline solid
안전 및 규제
GHS 분류
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.
유해성 정보
독성 정보
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
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29225000
- risk_code
- 20/21/22-36/37/38-22
- hazard_code
- Xn
- safety_code
- 24/25-36-26
화학 및 산업
약리 정보
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.
용도 및 제조
응용 분야
용도TriethanolaMine 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).
상·하류 제품 정보
상류 원료
공급사36 곳
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