아스피린
아세틸살리실산 · 아스피린 · 아세틸살리실릭애씨드 · 2-(아세틸옥시)벤조산 · 2-(아세틸옥시벤조)산 · 2-아세톡시벤조산 · 2-카복시페닐 아세테이트 · o-(아세틸옥시)벤조산
식별자 및 물리적 특성
| CAS No. | 50-78-2 |
|---|---|
| 분자식 | C9H8O4 |
| 평균 분자량 | 180.16 g/mol |
| 단동위원소 질량 | 180.04225873 g/mol |
| SMILES | CC(=O)Oc1ccccc1C(=O)O |
| InChIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| PubChem CID | 2244 |
| ChEMBL | CHEMBL25 |
| ChEBI | CHEBI:15365 |
| EC No. | 200-064-1 |
| DTXSID | DTXSID5020108 |
| 현지명 | 아스피린 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 63.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 212 |
| LogP(분배 계수) | 1.18log Kow = 1.19 |
| 냄새 | Odorless, but in moist air it is gradually hydrolyzed and acquires odor of acetic acidOdorless [Note: Develops the vinegar-like odor of acetic acid on contact with moisture]. |
| 밀도 | 1.4 (NTP, 1992) - Denser than waterwill sink1.401.4 g/cm³1.35 |
| Color/Form | Monoclinic tablets or needle-like crystalsColorless to white, crystalline powder. |
| 용해도 | less than 1 mg/mL at 73 °F (NTP, 1992)101 g sol in: 300 mL water at 25 °C, 100 mL water at 37 °C, 5 mL alcohol, 17 mL chloroform, 10-15 mL etherless sol in anhydrous etherIn water, 4,600 mg/L at 25 °CSolubility in water, g/100ml at 15 °C: 0.25 (poor)(77 °F): 0.3%H2O: 37 °C에서 10 mg/mL |
| 인화점 | 482 °F (NTP, 1992)250 °C |
| 끓는 점 | 284 °F at 760 mmHg (decomposes) (NTP, 1992)140284 °F (decomposes)272.96°C (rough estimate) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes.140 °C |
| 녹는점 | 275 °F (NTP, 1992)138-140135 °C (rapid heating)134-136 °C (lit.) |
| 증기압 | 0 mmHg (approx) (NIOSH, 2024)2.52X10-5 mm Hg at 25 °C (calc)Vapor pressure, Pa at 25 °C: ~ 0.004 |
| Physical Description | Acetylsalicylic acid appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)Odorless, colorless to white, crystal-line powder. [aspirin] [Note: Develops the vinegar-like odor of acetic acid on contact with moisture.]SolidCOLOURLESS-TO-WHITE CRYSTALS OR WHITE CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.Odorless, colorless to white, crystal-line powder. |
| Stability/Shelf Life | STABLE IN DRY AIRIN MOIST AIR IT IS GRADUALLY HYDROLYZED INTO SALICYLIC AND ACETIC ACIDSIn aqueous solutions, aspirin is most stable at a pH of 2-3, less stable at a pH of 4-8, and least stable at a pH less than 2 or greater than 8. In a saturated aqueous solution at a pH of 5-7, aspirin is almost completely hydrolyzed within 1 week at 25 °C. |
| 굴절률 | 1.4500 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 수정 같은 |
| 색상 | 하얀색 |
| pKa(산도 계수) | 3.5(at 25℃) |
| 생물학적 소스 | synthetic |
| 용해도 | 3.3g/L(20℃) |
| Merck | 14,851 |
| BRN | 779271 |
| 헨리 상수 | 7.6×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| BCS Class | 3 |
| 안정성 | 안정적인. 건조한 상태로 유지하세요. 강산화제, 강염기, 강산, 요오드화물, 철염, 퀴닌 염 등과 같은 다양한 기타 화합물과 호환되지 않습니다. |
| 화장품 원료 기능 | 각질 제거 |
| InChI | 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccccc1C(O)=O |
| LogP(분배 계수) | 1.190 |
| NIST | Benzoic acid, 2-(acetyloxy)-(50-78-2) |
| EPA | Aspirin (50-78-2) |
화학적 성질
Acetylsalicylic acid is a white crystalline solid with a slightly bitter taste. It is odorless but hydrolyzes in moist air to give an acetic acid odor
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (1 of 315) of reports.WarningH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (20.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20%): 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 315 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 315 reports by companies.There are 22 notifications provided by 314 of 315 reports by companies with hazard statement code(s).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. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 2-(acetyloxy)-Hazard Traits - Developmental ToxicityReproductive ToxicityAuthoritative List - Prop 65Report - regardless of intended function of ingredient in the productStatus: Active Update: 02-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10841Status: Active Update: 27-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7490Acetylsalicylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzoic acid, 2-(acetyloxy)-: Environment tier I assessmentIMAP assessments - Benzoic acid, 2-(acetyloxy)-: Human health tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 |
용도
용도
아스피린은 프로트롬빈 생성 억제를 통한 혈소판 제거 반응을 하기 때문에 항응고 작용을 하여 혈전을 예방 할 수 있다. 이 때문에 급성 심장마비에 사용한다.
용도
아스피린 는 해 열 이며 류 마티스는 dysmenorrhea, 발열, 두통, 관절 통, acticerheumatism, 그리고 류 마티스 관절염, 치 통 완화에 사용 및 만들기에 대 한 원료 항 발암 물질.
개요
Acetylsalicylic acid is a white crystalline powder commonly known by its common name as aspirin or ASA. Aspirin is the most widely used medication in the world.
역사
Willow leaves and bark contain salicin which is the active ingredient that dulls pain. Most histories of aspirin include four-thousand-year-old Sumerian tablets that mention willow as pain relief. It was also used by the ancient Chinese and Greeks.In the eighteenth century, Edward Stone, an English vicar used dried willow bark for five years to treat fevers. Drying it concentrates the salicin. Then in eighteen-twenty-six, Italian researchers extracted salicin from willow bark and two years later, German pharmacologist Joseph Buchner, professor of pharmacy at Munich University, Germany, succeeds in extracting the active ingredient from willow, producing bitter tasting yellow crystals that he names salicin (for willow in Latin).In 1876, the first rigorous clinical trial of salicin finds that it induces remission of fever and joint inflammation in patients with rheumatism. While working for pharmaceutical company Bayer, German chemist Felix Hoffmann finds that adding an acetyl group to salicylic acid reduces its irritant properties and Bayer patents the process and named Acetylsalicylic acid as Aspirin.
용도
Acetylsalicylic acid is the prototypical analgesic used in the treatment of mild to moderate pain. Acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Acetylsalicylic acid also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. Along with sodium salicylate (sc-3520), aspirin has been shown to block the long terminal repeat from the human immunodeficiency virus and the Ig κ enhancer from NFκB dependent transcription.
일반 설명
Acetylsalicylic acid (Aspro, Empirin), was introducedinto medicine by Dreser in 1899.Acetylsalicylic acid occurs as white crystals or as a white crystallinepowder and must be kept under dry conditions. It is not advisableto keep Acetylsalicylic acid products in the kitchen or bathroomcabinets, because Acetylsalicylic acid is slowly decomposed into aceticand salicylic acids in the presence of heat and moisture.Several proprietaries (e.g., Bufferin) use compounds such as sodium bicarbonate, aluminum glycinate, sodium citrate,aluminum hydroxide, or magnesium trisilicate to counteractAcetylsalicylic acid’s acidic property. One of the better antacids is dihydroxyaluminumaminoacetate. Acetylsalicylic acid is unusually effectivewhen prescribed with calcium glutamate. The more stable,nonirritant calcium acetylsalicylate is formed, and theglutamate portion (glutamic acid) maintains a pH of 3.5 to5. Practically all salts of Acetylsalicylic acid, except those of aluminumand calcium, are unstable for pharmaceutical use. Thesesalts appear to have fewer undesirable side effects and induceanalgesia faster than Acetylsalicylic acid. A timed release preparationof Acetylsalicylic acid is available. It does not appear to offer anyadvantages over Acetylsalicylic acid, except for bedtime dosage.