α-シクロデキストリン
α-シクロデキストリン · αシクロデキストリン · アルファデクス · Schardinger α-デキストリン · シクロヘキサアミロース · Α‐シクロデキストリン · Α-シクロデキストリン、定量用 · シクロデキストリン, ALPHA-
識別子と物理属性
| CAS No. | 10016-20-3 |
|---|---|
| 分子式 | C36H60O30 |
| 平均分子量 | 972.8 g/mol |
| 単同位体質量 | 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 |
| 現地名 | α-シクロデキストリン |
化学・物理的性質
| XLogP | -12.9 |
|---|---|
| 極性表面積 | 475 |
| 水素結合供与体数 | 18 |
| 水素結合受容体数 | 30 |
| 回転可能結合数 | 6 |
| 重原子数 | 66 |
| 形式電荷 | 0 |
| 複雑度 | 1,250 |
| 物質分類 | Biological Agents -> Oligosaccharides |
| 融点 | 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] |
| 沸点 | 784.04°C (rough estimate) |
| 比旋光度 | [α]D25 +146～+151° (c=1, H2O) (After Drying) |
| 密度 | 1.2580 (rough estimate) |
| 屈折率 | 1.7500 (estimate) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | H2O: 50 mg/mL1%(w/v)で水に可溶 |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 11.77±0.70(Predicted) |
| 色 | 白い |
| pH | 5.0-8.0 (1% in solution) |
| 臭い | 100.00%で。無臭 |
| Merck | 14,2718 |
| BRN | 4227442 |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChIKey | HFHDHCJBZVLPGP-RWMJIURBSA-N |
| LogP（分配係数） | -7.77 |
| CAS データベース | 10016-20-3 |
| NISTの化学物質情報 | «alpha»-Cyclodextrin(10016-20-3) |
| EPAの化学物質情報 | .alpha.-Cyclodextrin (10016-20-3) |
| Absorption | ≤0.05 at 350-750nm in solution at 1%≤0.10 at 230-250nm in solution at 1% |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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 |
| その他の安全情報 | IMAP assessments - .alpha.-Cyclodextrin: Human health tier I assessment |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: A symptom of exposure to this chemical is irritation. |
| 有害性の概要 | 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. |
| 反応性グループ | 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 |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | 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. |
| 非火災時の漏出対応 | 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). |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | GU2292000 |
| 税関コード | 29400090 |
| 危険文句（R） | 36-36/37/38 |
| 化審法 | (8)-101 届出不要化学物質 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
食品添加物、医薬品原料
説明
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].
一般的な説明
Hexagonal plates or blade-shaped needles.
製法・合成法
調製方法
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.
純化方法
Recrystallise α-cyclodextrin from 60% aqueous EtOH, then twice from water, and dry it for 12hours in a vacuum at 80o. It is also purified by precipitation from water with 1,1,2-trichloroethylene. The precipitate is collected, washed and resuspended in water. This is boiled to steam distil the trichloroethylene. The solution is then freeze-dried to recover the cyclodextrin. [Armstrong et al. J Am Chem Soc 108 1418 1986]. [Beilstein 19/12 V 789.]