2,6-디이소프로필페놀
프로포폴 · 2,6-디아이소프로필페놀 · 2,6-디이소프로필페놀 · 2,6-디아이소프로필페놀(2,6-DIISOPROPYLPHENOL) · 2,6-DIISOPROPYLPHENOL · DIPRIVAN · Propofol USP · Anepol
식별자 및 물리적 특성
| CAS No. | 2078-54-8 |
|---|---|
| 분자식 | C12H18O |
| 평균 분자량 | 178.27 g/mol |
| 단동위원소 질량 | 178.1357652 g/mol |
| SMILES | CC(C)c1cccc(C(C)C)c1O |
| InChIKey | OLBCVFGFOZPWHH-UHFFFAOYSA-N |
| PubChem CID | 4943 |
| ChEMBL | CHEMBL526 |
| ChEBI | CHEBI:44915 |
| EC No. | 218-206-6 |
| DTXSID | DTXSID6023523 |
| 현지명 | 2,6-디이소프로필페놀 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 135 |
| 의약품 | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Synthetic Cannabinoids or Psychoactive CompoundsPharmaceuticals -> AnestheticsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in Switzerland |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 3.794 |
| 밀도 | 0.955 g/cu cm @ 20 °C0.962 g/mL at 25 °C (lit.) |
| Color/Form | Light-straw-colored liquid |
| 용해도 | Insoluble in water. Soluble in alcohol and toluene.1.58e-01 g/L물에 매우 약간 용해되며 헥산 및 메탄올과 섞임 |
| Human Drugs | Breast FeedingLactationAnesthetics, IntravenousHypnotics and SedativesFDA approved drugs -> Active ingredientPharmaceuticalsGeneral anaesthetics and oxygen > Injectable medicines |
| Animal Drugs | Active Ingredients (Propofol) -> FDA Greenbook |
| 끓는 점 | 242 °C254.00 to 256.00 °C. @ 764.00 mm Hg256 °C/764 mmHg (lit.) |
| 녹는점 | 18 °C18 °C (lit.) |
| 굴절률 | Index of refraction (sodium light): 1.5134 @ 20 °C1.5111 @ 25 °C.n20/D 1.514(lit.) |
| Physical Description | Liquid |
| 증기압 | 5.6 mm Hg ( 100 °C) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | pKa 11.10(H2O,t =20)(Approximate) |
| 물리적 상태 | 18°C Liquid |
| 색상 | 연한 노란색에서 노란색까지 |
| 냄새 | 100.00?%. 약한 페놀성 |
| 용해도 | 물에 아주 약간 용해됩니다. |
| Merck | 14,7834 |
| BRN | 1866484 |
| 헨리 상수 | 4.7×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| InChI | 1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 |
| InChIKey | OLBCVFGFOZPWHH-UHFFFAOYSA-N |
| SMILES | CC(C)c1cccc(C(C)C)c1O |
| LogP(분배 계수) | 3.790 |
| NIST | Phenol, 2,6-bis(1-methylethyl)-(2078-54-8) |
| EPA | 2,6-Diisopropylphenol (2078-54-8) |
화학적 성질
Light Yellow Liquid
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 1494 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2,6-bis(1-methylethyl)-Phenol, 2,6-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Propofol: Does not have an individual approval but may be used under an appropriate group standard |
| FDA 요건 | The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl propofol, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.Propofol injection. (a) Specifications. The drug is a sterile, nonpyrogenic, oil-in-water emulsion containing 10 milligrams of propofol per milliliter. ... (1) Dogs. (i) The drug is indicated for use as an anesthetic as follows: As a single injection to provide general anesthesia for procedures lasting up to 5 minutesfor induction and maintenance of general anesthesia using incremental doses to effectfor induction of general anesthesia where maintenance is provided by inhalant anesthetics. ... (2) Cats. (i) The drug is indicated for use as an anesthetic as follows: As a single injection to provide general anesthesia for short procedures, for induction and maintenance of general anesthesia using incremental doses to effect, and for induction of general anesthesia where maintenance is provided by inhalant anesthetics. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
용도
개요
Propofol is an injectable, short-acting general anesthetic with a low incidence of side effects.
역사
Propofol, anesthetic drug used to induce and maintain general anesthesia and to sedate patients for certain medical procedures. Propofol was first tested clinically in 1977. When administered by intravenous injection, it quickly induced anesthesia, with fast and smooth recovery afterward. Animal studies, however, revealed the potential for severe allergic reactions. With subsequent reformulation of propofol into an oil-based emulsion, giving it a milky appearance, this challenge was overcome, and propofol gained widespread use as a key anesthetic agent.
용도
Propofol is an anesthetic used in veterinary medicine.
일반 설명
Propofol is an injectable sedative–hypnotic used for the inductionand maintenance of anesthesia or sedation. Propofolis only slightly soluble in water with an octanol/water partitioncoefficient of 6,761:1; thus, it is formulated as an oil-inwateremulsion. The fat component of the emulsion consistsof soybean oil, glycerol, and egg lecithin. The pKa of thepropanol hydroxyl is 11 and the injectable emulsion has apH of 7 to 8.5. Formulations contain either disodium ethylenediaminetetraaceticacid (EDTA) (0.005%) or sodiummetabisulfite to retard the growth of microorganisms. EDTAis a metal chelator and patients on propofol containingEDTA for extended periods of time excrete more zinc andiron in their urine. The clinical consequence of this is notknown but the manufacturer recommends that a drug holidayor zinc supplementation be considered after 5 days of therapy.