알파-시클로덱스트린
알파-사이클로덱스트린 · 알파-시클로덱스트린 · 알파-사이클로덱스트린(ALPHA-CYCLODEXTRIN) · ALPHA-CYCLODEXTRIN · Alfadex · α-cyclodextrin · cyclohexapentylose · CYCLOHEXAAMYLOSE
식별자 및 물리적 특성
| CAS No. | 10016-20-3 |
|---|---|
| 분자식 | C36H60O30 |
| 평균 분자량 | 972.8 g/mol |
| 단동위원소 질량 | 972.31694052 g/mol |
| SMILES | OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO |
| InChIKey | HFHDHCJBZVLPGP-RWMJIURBSA-N |
| PubChem CID | 444913 |
| ChEMBL | CHEMBL1230813 |
| ChEBI | CHEBI:40585 |
| EC No. | 233-007-4 |
| DTXSID | DTXSID7030698 |
| 현지명 | 알파-시클로덱스트린 |
화학 및 물리적 성질
| XLogP | -12.9 |
|---|---|
| 극성 표면적 | 475 |
| 수소 결합 공여자 수 | 18 |
| 수소 결합 수용자 수 | 30 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 66 |
| 형식 전하 | 0 |
| 복잡도 | 1,250 |
| 물질 분류 | Biological Agents -> Oligosaccharides |
| 녹는점 | 532 °F (decomposes) (NTP, 1992)>278 °C (dec.) (lit.) |
| Physical Description | Hexagonal plates or blade-shaped needles. (NTP, 1992)Dry PowderSolid[Merck Index] White or nearly white solidVirtually odorless[JECFA] White powder[Sigma-Aldrich MSDS] |
| Collision Cross Section | 277.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7030698]285.5 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
| 끓는 점 | 784.04°C (rough estimate) |
| 밀도 | 1.2580 (rough estimate) |
| 굴절률 | 1.7500 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | H2O: 50 mg/mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 11.77±0.70(Predicted) |
| 색상 | 하얀색 |
| pH | 5.0-8.0 (1% in solution) |
| 냄새 | 100.00%. 냄새 없는 |
| 용해도 | 1%(w/v)에서 물에 불용성 |
| Merck | 14,2718 |
| BRN | 4227442 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChIKey | HFHDHCJBZVLPGP-RWMJIURBSA-N |
| LogP(분배 계수) | -7.77 |
| NIST | «alpha»-Cyclodextrin(10016-20-3) |
| EPA | .alpha.-Cyclodextrin (10016-20-3) |
| Absorption | ≤0.05 at 350-750nm in solution at 1%≤0.10 at 230-250nm in solution at 1% |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 94.8% (73 of 77) of all reports.Not ClassifiedAggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: .alpha.-CyclodextrinRegulation (EC) No 258/1997.alpha.-Cyclodextrin is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .alpha.-Cyclodextrin 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)Status: Active Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10199Alfadex: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - .alpha.-Cyclodextrin: Human health tier I assessment |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: A symptom of exposure to this chemical is irritation. |
| 유해성 요약 | No developmental toxicity or teratogenicity observed in rats at doses up to 49,300 mg/kg/day (mild maternal toxicity observed)[NTP] Causes changes in liver weight and weight loss in 4-week oral studies of rats[RTECS] Safe when used as a food ingredient and additive at proposed levels and predicted consumption patterns[JECFA] May cause irritationNot a skin irritant in rabbitsNo skin sensitization observed in guinea pigs[Sigma-Aldrich MSDS] See beta-Cyclodextrin and gamma-Cyclodextrin. |
| 반응성 그룹 | Alcohols and Polyols |
| Reactivity Profile | ALPHA-CYCLODEXTRIN has hydrophobic cavities. It forms inclusion compounds with organic substances, salts, and halogens in the solid state or in aqueous solutions. It is incompatible with strong oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Not Classified |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. You should then use absorbent paper to pick up liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with 60-70% methanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GU2292000 |
| 관세 코드 | 29400090 |
| 위험 문구(R) | 36-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-09137 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
알파 사이클로 덱스트린 은 α-1.4 결합으로 연결된 6 개의 글루코스 단위로 이루어진 비 환원성 환상 당류이다. 가수 분해 전분 시럽에 시클로 덱스트린 글루코 실 전이 효소가 작용하여 생성됩니다. 알파 - 시클로 덱스트린의 공동은 베타 - 시클로 덱스트린보다 작기 때문에 작은 분자와 함께 포함 복합체를 형성하는 데 사용됩니다. 용해도 물에서 알파 - 시클로 덱스트린은 25 ℃에서 14.5g / 100ml 이므로 시클로 덱스트린의 높은 용해도가 필요한 상황입니다.
용도
알파 사이클로 덱스트린 또는 α- 사이클로 덱스트린, α- 사이클로 덱스트린은 다양한 의료, 건강 관리 및 식품 및 음료 응용 분야에 판매됩니다. 약물 전달을 위해, 그것은 소수성 약물에 대한 수용성 및 불안정한 약물에 대한 안정성을 부여 할 것이다.
개요
α-Cyclodextrine (α-CD) is a cyclic oligosaccharide derived from corn (Trade name: Mirafit fbcx, ArtJen Complexus, Windsor, Ontario, Canada). It has been shown to form a stable complex with dietary fat. This complex is resistant to normal lipolytic hydrolysis by lipases and thereby reduces the absorption and bioavailability of dietary fat[1].
일반 설명
Hexagonal plates or blade-shaped needles.
제조 및 합성 방법
생산 방법
Cyclodextrins are manufactured by the enzymatic degradation of starch using specialized bacteria. For example, β-cyclodextrin is produced by the action of the enzyme cyclodextrin glucosyltransferase upon starch or a starch hydrolysate. An organic solvent is used to direct the reaction that produces β-cyclodextrin, and to prevent the growth of microorganisms during the enzymatic reaction. The insoluble complex of β-cyclodextrin and organic solvent is separated from the noncyclic starch, and the organic solvent is removed in vacuo so that less than 1 ppm of solvent remains in the β-cyclodextrin. The β-cyclodextrin is then carbon treated and crystallized from water, dried, and collected.