Alpha-Cyclodextrin

HCID 444913

ノート反応

データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS: 10016-20-3
標準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
分子式: C36H60O30
平均分子量: 972.8 g/mol
単同位体質量: 972.31694052

概要

Hexagonal plates or blade-shaped needles. (NTP, 1992)

名称と識別子

優先名称: Alpha-Cyclodextrin
IUPAC: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

名称と別名

alpha-CYCLODEXTRIN10016-20-3Alfadexalpha-DextrinCyclomaltohexoseCyclohexaamylosealpha-CycloamyloseCyclomaltohexaoseAlfadexumalpha cyclodextrinDextrin, alpha-cycloOristar acd

名称をさらに表示

Ringdex-aCavamax w6Cavamax w 6 foodCeldex a 100DTXSID7030698Ins no.457Z1LH97KTRMIns-457

データベース識別子

CAS: 10016-20-3
PubChem CID: 444913
DTXSID: DTXSID7030698
ChEMBL: CHEMBL1230813
ChEBI: CHEBI:40585
UNII: Z1LH97KTRM
EC Number: 233-007-4
Nikkaji: J209.149F

物性

構造計算による物性補完中

XLogP: -12.9
極性表面積: 475 Å²
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

実験および物理化学的性質

Chemical ClassesBiological Agents -> Oligosaccharides

Melting Point532 °F (decomposes) (NTP, 1992)

Physical Description · 3 件

Hexagonal plates or blade-shaped needles. (NTP, 1992)

Dry Powder

Solid; [Merck Index] White or nearly white solid; Virtually odorless; [JECFA] White powder; [Sigma-Aldrich MSDS]

Collision Cross Section · 2 件

277.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7030698]

285.5 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 94.8% (73 of 77) of all reports.

Not Classified

Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: .alpha.-Cyclodextrin

Regulation (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/10199

Alfadex: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - .alpha.-Cyclodextrin: Human health tier I assessment

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: A symptom of exposure to this chemical is irritation.

Hazards Summary · 1 件

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 irritation; Not a skin irritant in rabbits; No skin sensitization observed in guinea pigs; [Sigma-Aldrich MSDS] See beta-Cyclodextrin and gamma-Cyclodextrin.

Reactive GroupAlcohols and Polyols

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

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.

Nonfire Spill Response · 1 件

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) · 1 件

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)

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

用途と製造

Uses · 2 件

Cyclodextrins are natural cyclic oligosaccharides with conical structures, a hollow hydrophobic internal cavity, and a hydrophobic exterior; alpha-Cyclodextrin is composed of 6 units of glucose; Used in drug delivery, as a complexing agent in foods, cosmetics, and agricultural chemicals, and in chiral separation methods; [Merck Index] Used as a carrier, stabilizer, absorbent, and encapsulation agent for food additives, flavorings, and vitamins; [JECFA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Alpha cyclodextrin is a naturally occurring, cyclic oligosaccharide, enzymatically produced from starch.

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesPreservative

Industry UsesPreservative

Use Classification · 5 件

Food Additives -> ADJUVANT; CARRIER; STABILIZER; THICKENER -> JECFA Functional Classes

General Manufacturing Information · 2 件

Agriculture, Forestry, Fishing and Hunting

.alpha.-Cyclodextrin: ACTIVE