octyl beta-D-glucopyranoside
Grundinformationen
- CAS
129522-81-2- Standard-SMILES
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HEGSGKPQLMEBJL-RKQHYHRCSA-N- Summenformel
- C14H28O6
- Durchschnittliche Molmasse
- 292,37 g/mol
Überblick
Octyl beta-D-glucopyranoside is an beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. It has a role as a plant metabolite.
Namen und Bezeichner
- Bevorzugter Name
- octyl beta-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
- Englischer Name
- 1-O-Octyl-d17-beta-D-glucopyranoside
- Summenformel
- C14H28O6
- Molmasse
- 292.37
Namen und Synonyme
29836-26-8OCTYL BETA-D-GLUCOPYRANOSIDEn-Octyl-beta-D-glucopyranoside1-O-n-Octyl-beta-D-glucopyranosidecaprylyl glucosidebeta-D-Octyl glucosideOctyl-beta-D-glucosideoctylglucoside(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triolDTXSID6042234V109WUT6RLbeta-D-Glucopyranoside, octyl
Weitere Namen anzeigen
n-Octyl-β-D-Glucopyranoside-d17n-Octyl-d17-β-D-Glucopyranoside1-O-Octyl-D17-β-D-glucopyranoside1-O-n-Octyl-d17-β-D-glucopyranoside1-O-Octyl-d17-beta-D-glucopyranoside1-O-n-Octyl-d17-beta-D-glucopyranosideβ-D-Glucopyranoside, octyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d17(2R,3R,4S,5S,6R)-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
DTXCID4022234CHEBI:41128octylglucopyranosidebeta-octyl-d-glucosideoctyl-alpha-D-glucosidebeta-octylglucopyranosideRefChem:856084249-887-8
Datenbank-Bezeichner
- CAS
129522-81-2- ChEMBL
CHEMBL446037- ChEBI
CHEBI:41128- UNII
- V109WUT6RL
- EC Number
- 249-887-8、259-216-0
- Nikkaji
- J236.172H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 99,4 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 250
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
CosmeticsCosmetic ingredients (Caprylyl Glucoside) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionWhite solid; [Merck Index] White to off-white hygroscopic powder; [Alfa Aesar MSDS]
Collision Cross Section180.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6042234]
Physikochemische Eigenschaften
- storage temp.
- 0 · 0-6°C
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 50% (3 of 6) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: .beta.-D-Glucopyranoside, octyl
.beta.-D-Glucopyranoside, octyl: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Octyl glucoside and alpha-Methylglucoside.
EPA Safer ChemicalChemical: Octyl-beta-D-glucoside
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Toxikologische Informationen
Toxicity Summary
The CIR Expert Panel concluded that the 19 alkyl glucosides listed below are safe in the present practices of use and concentrations when formulated to be nonirritating...Caprylyl Glucoside...
Safe for use in cosmetics, with qualifications
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Verwendung und Herstellung
Uses
CIR ingredient: Caprylyl Glucoside
Used as a detergent and surfactant for biological systems; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Household ProductsInformation on 3 consumer products that contain Caprylyl Glucoside in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Anwendungen
Verwenden1-O-n-Octyl-d17-beta-D-glucopyranoside (CAS# 129522-81-2) is a useful isotopically labeled research compound.
Anbieter6 Anbieter
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
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