CAS 97-30-3 methyl alpha-D-glucopyranoside (HCID 64947)

概要

Methyl alpha-D-glucopyranoside is an alpha-D-glucopyranoside having a methyl substituent at the anomeric position. It is an alpha-D-glucoside and a methyl D-glucoside.

名称と識別子

優先名称: methyl alpha-D-glucopyranoside
IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
現地名: メチル-α-D-グルコシド
英語名: alpha-D-Methylglucoside
分子式: C7H14O6
分子量: 194.18

名称と別名

97-30-3Methyl alpha-D-glucopyranosidealpha-Methylglucosidealpha-Methyl-D-glucosideMethyl alpha-D-glucosidealpha-Methyl D-glucose ethermethyl glucoseDTXSID7026605QCF122NF3R1-O-methyl-alpha-D-glucosidealpha-D-Glucopyranoside, methylCHEBI:320061

名称をさらに表示

メチル-α-D-グルコシドα-メチルグルコースα-メチルD-グルコースエーテル[(2R)-テトラヒドロ-2α-(ヒドロキシメチル)-6β-メトキシ-2H-ピラン]-3β,4α,5β-トリオールメチルα-グルコシドアルファ-メチルグルコースα-メチルグルコピラノシドα-メチルグルコシドα-メチル-D-グルコシドα-メチル-D-グルコピラノシドα-メチルD-グルコピラノシドメチル-α-D-グルコピラノシドメチルα-D-グルコピラノシド(2S)-3α,4β,5α-トリヒドロキシ-2α-メトキシテトラヒドロ-2H-ピラン-6β-メタノール1-O-メチル-α-D-グルコピラノースα-D-メチルグルコシドメチルα-D-グルコシドメチルグルコースΑ‐メチル‐D‐グルコシドΑ-メチル-D(+)-グルコシド(2R,3S,4S,5R,6S)-2-(hydroxyMethyl)-6-Methoxytetrahydro-2H-pyran-3,4,5-triolMethyl α-D-glucopyranosideMETHYL A-D-GLUCOPYRANOSIDEα-D-methylglucosideMethyl hexopyranoside1-OME-ALPHA-D-GLCA-D-METHYLGLUCOSIDEαMDG

1-O-methyl-alpha-D-glucopyranosideDTXCID806605NSC-102101NSC-214092RefChem:1089535202-571-3Methyl-alpha-D-glucopyranoside(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

データベース識別子

CAS: 97-30-3
PubChem CID: 64947
DTXSID: DTXSID7026605
ChEMBL: CHEMBL131853
ChEBI: CHEBI:320061
UNII: QCF122NF3R
EC Number: 202-571-3
Nikkaji: J4.730I

物性

構造計算による物性

XLogP: -2.2
極性表面積: 99.4 Å²
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: 2
重原子数: 13
形式電荷: 0
複雑度: 163

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionSolid; [Merck Index] White crystals; [Acros Organics MSDS]

物理化学的性質

融点: 169 · 169-171 °C(lit.)
沸点: 200 °C · 200 °C (0.2 mmHg)
比旋光度: 158.9 · 158.9 º (c=10, water)
比重(密度): 1 · 1,46 g/cm3
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 157.5 ° · 157.5 ° (C=10, H2O)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: メタノール（微量）、水（微量）
外見: 微結晶性粉末
酸解離定数(Pka): pKa (25°): 13.71
色: 白い
由来生物: synthetic (organic)
水溶解度: 108 g/100mL · 108g/100mL(20℃)
Merck: 14 · 14,6080
BRN: 81568 · 81568
InChI: 1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKey: HOVAGTYPODGVJG-ZFYZTMLRSA-N
SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
LogP: -2.35 at · -2.35 at 25℃
CAS データベース: 97 · 97-30-3(CAS DataBase Reference)
NISTの化学物質情報: «alpha»-Methyl-(d)-glucoside(97-30-3)
EPAの化学物質情報: .alpha.-D-Glucopyranoside, methyl (97-30-3)

化学的性質

化学的特性White Powder

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (464 of 464) of all reports.

Not Classified

Aggregated GHS information provided per 464 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: .alpha.-D-Glucopyranoside, methyl

Status: Active Update: 27-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23022

.alpha.-D-Glucopyranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Glucose.

EPA Safer ChemicalChemical: alpha-Methylglucoside

Hazard Classes and CategoriesNot Classified

安全データ

F: 3-10
wgk: 3
tsca: TSCA listed
hs_code: 29321900
化審法: (8)-51
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed to make drying oils, tall oil esters and varnishes, fatty acid esters, plasticizers, nonionic surface-active agents, alkyd resins, plasticizing alkyds, and glucoside hydroxypropyl ethers; [Merck Index]

Use Classification · 2 件

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information.alpha.-D-Glucopyranoside, methyl: ACTIVE

応用分野 · 1 件

使用manufacture of reconstituted and upgraded drying oils; tall oil esters and varnishes; fatty acid esters; plasticizers; nonionic surface active agents; fast and hard drying alkyd resins, and so-called plasticizing alkyds. In making glucoside hydroxypropyl ethers for polyurethan foam production.

調製方法

純化方法Crystallise methyl -D-glucoside from MeOH or EtOH. Its solubility in H2O is 10%. [Ferrier et al. Carbohydr Research 27 55,59 1973, Beilstein 17/7 V 13.]

上流・下流製品情報

下流製品

2-Methacryloxyethyl D-glucopyranoside レブリン酸メチル 2-Acetamido-2-deoxy-beta-D-glucosamine 2,3,4,6-テトラ-O-ピバロイル-Α-D-グルコピラノシルブロミドヒドロキシマロン酸 α-D-Glucopyranoside, methyl 4,6-O-[(R)-(4-methoxyphenyl)methylene]-methyl 4,6-dichloro-4,6-dideoxy-alpha-galactopyranoside

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

補足説明

定義ChEBI: An alpha-D-glucopyranoside having a methyl substituent at the anomeric position.

化合物ノート

読み込み中…

メチル-α-D-グルコシド

基本情報

概要