methyl alpha-D-glucopyranoside

HCID 64947CAS 97-30-3

기본 정보

표준 SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: HOVAGTYPODGVJG-ZFYZTMLRSA-N
분자식: C7H14O6
평균 분자량: 194.18 g/mol
단동위원소 질량: 194.07903817

개요

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.

이름 및 식별자

우선 이름: methyl alpha-D-glucopyranoside
IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.2
극성 표면적: 99.4 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 163

실험 및 물리화학적 성질

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]

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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

화학 및 산업

용도 및 제조

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 · 2건

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