基本情報
- CAS
29836-26-8- 標準SMILES
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HEGSGKPQLMEBJL-RKQHYHRCSA-N- 分子式
- C14H28O6
- 平均分子量
- 292.37 g/mol
- 単同位体質量
- 292.18858861
概要
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.
名称と識別子
- 優先名称
- octyl beta-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
- 現地名
- n-オクチルβ-D-グルコピラノシド
- 英語名
- n-Octyl-β-D-glucopyranoside
- 分子式
- C14H28O6
- 分子量
- 292.37
名称と別名
29836-26-8OCTYL BETA-D-GLUCOPYRANOSIDEn-Octyl-beta-D-glucopyranosidecaprylyl glucoside1-O-n-Octyl-beta-D-glucopyranosidebeta-D-Octyl glucosideOctyl-beta-D-glucosideoctylglucoside(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triolbeta-D-Glucopyranoside, octylDTXSID6042234octylglucopyranoside
名称をさらに表示
n-オクチルβ-D-グルコピラノシド [生化学用]β-オクチルグルコシドオクチルβ-D-グルコシドn-オクチル-β-D-グルコシドn-オクチルグルコシドオクチル-β-D-グルコピラノシドオクチルβ-D-グルコピラノシドn-オクチル-β-D-グルコピラノシドオクチルβ-グルコシド1-O-オクチル-β-D-グルコピラノースオクチルグルコシドカプリリルグルコシド1-O-N-オクチル-Β-D-グルコピラノシドＮオクチル-beta-D-グルコシド1‐O‐N‐オクチル‐Β‐D‐グルコピラノシドN‐オクチル‐Β‐D‐グルコピラノシドオクチル-Β-D-グルコピラノシド, N-オクチル Β-D-グルコピラノシドオクチル Β-D-グルコピラノシド 溶液n-オクチルβ-D-グルコピラノシドOG
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 99.4 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 9
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 250
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 105 °C · 105 °C
- 比旋光度
- -32 · -32 º (c=5, water)
- 沸点
- 354.3 °C · 354.3°C (rough estimate)
- 比重(密度)
- 1.0869 · 1.0869 (rough estimate)
- 屈折率
- -27 ° · -27 ° (C=1, MeOH)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- DMSO（微量）、水（微量）
- 外見
- 結晶性粉末およびチャンク
- 酸解離定数(Pka)
- 12.95 · 12.95±0.70(Predicted)
- 色
- 白い
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
毒性情報
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
安全データ
- wgk
- 3
- hs_code
- 29400090
化学と産業
薬理情報
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.
用途と製造
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
応用分野
説明n-Octyl-β-D-glucopyranoside is a non–ionic detergent intended for solubilizing membrane–bound proteins in their native state and for the preparation of lipid vesicles. n-Octyl-β-D-glucopyranoside has a well–defined chemical structure, small uniform micelles, and high water solubility, which make n-Octyl-β-D-glucopyranoside superior to most other nonionic detergents for membrane solubilization. Because of the high critical micelle concentration (20-25 mM), n-Octyl-β-D-glucopyranoside has the additional advantage of being removed easily by dialysis when compared to bile salts. n-Octyl-β-D-glucopyranoside is also known as N-Octyl glucoside, OGP, OG, n-Octylglucoside, and octyl-β-D-glucopyranoside.
使用A nonionic detergent for the solubilization of membrane bound protein.
調製方法
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