Sucrose Octaacetate
Grundinformationen
- CAS
94273-23-1- Standard-SMILES
CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
ZIJKGAXBCRWEOL-SAXBRCJISA-N- Summenformel
- C28H38O19
- Durchschnittliche Molmasse
- 678,6 g/mol
Überblick
Sucrose octaacetate is a glycoside.
Namen und Bezeichner
- Bevorzugter Name
- Sucrose Octaacetate
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
- Englischer Name
- Sucrose Octaacetate
- Summenformel
- C28H38O19
- Molmasse
- 678.59
Namen und Synonyme
SUCROSE OCTAACETATE126-14-7OctaacetylsucroseFEMA No. 3038DTXSID3042423sucrose octa-acetateNSC-1695alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate07V591057TDTXCID1022423[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetatesucrose octa acetate
Weitere Namen anzeigen
((2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-((2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl)oxyoxan-2-yl)methyl acetateRefChem:186404GlyTouCan:G43789DDG43789DD204-772-1Octaacetyl sucroseOcta-O-acetyl D-(+)-SucroseOcta-O-acetylsucrose
Datenbank-Bezeichner
- CAS
94273-23-1- ChEMBL
CHEMBL2105790- ChEBI
CHEBI:180783- UNII
- 07V591057T
- EC Number
- 204-772-1
- Nikkaji
- J5.550F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 238 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 19
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.210
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Disaccharides
Cosmetics
Cosmetic ingredients (Sucrose Octaacetate) -> CIR (Cosmetic Ingredient Review)
Denaturant
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionHygroscopic solid; [Merck Index] Beige hygroscopic powder; [Sigma-Aldrich MSDS]
Collision Cross Section238.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3042423]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (117 of 117) of all reports.
Not Classified
Aggregated GHS information provided per 117 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, tetraacetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Sucrose octaacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, tetraacetate: Human health tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [EFSA] A mild skin irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Sucrose Octaacetate
Used as an adhesive, denaturant (alcohol), and additive (paper, lacquer, and plastic production); [Merck Index] Used as an inert ingredient (adhesive) in insect repellents, herbicides, flea and tick sprays, and other insecticides; Approved by the FDA for use as a direct and indirect food additive and as a nail-biting and thumb-sucking deterrent in over-the-counter products; [EPA - Inert Reassessment]
Pulp and Paper Processing [Category: Industry]
Household ProductsInformation on 1 consumer products that contain Sucrose octaacetate in the following categories is provided:
Use ClassificationCosmetics -> Denaturant
General Manufacturing Information.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate: ACTIVE
Zugehörige Reaktionen
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