Guaiacylglycerol-beta-guaiacyl ether

HCID 6424189

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기본 정보

CAS
7382-59-4
표준 SMILES
COc1cc(C(O)C(CO)Oc2ccccc2OC)ccc1O
InChIKey
PPZSOILKWHVNNS-UHFFFAOYSA-N
분자식
C17H20O6
평균 분자량
320.3 g/mol

개요

Guaiacylglycerol-beta-guaiacyl ether is a glycerol ether in which guaiacyl and guaiacylglycerol subunits are joined by an arylglycerol-beta-aryl (beta-O-4) linkage. It is functionally related to a guaiacol.

이름 및 식별자

우선 이름
Guaiacylglycerol-beta-guaiacyl ether
IUPAC
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

이름 및 동의어

7382-59-4GUAIACYLGLYCEROL-BETA-GUAIACYL ETHERGGBGE1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediolGuaiacylglycerol-beta-O-4-guaiacyl etherCHEBI:536501-HMPMPP cpdRefChem:9225681-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol;1-(4-hydroxy-3-(methyloxy)phenyl)-2-((2-(methyloxy)phenyl)oxy)propane-1,3-diol1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diolGuaiacyl glycero-beta-guaiacyl ether
이름 더 보기
GGGEGuaiacylglycerol-|A-guaiacyl EtherMFCD000601442-Methoxy-4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]phenol1-(3-Methoxy-4-hydroxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol2-(2-Methoxyphenoxy)-3-(3-methoxy-4-hydroxyphenyl)propane-1,3-diolGuaiacylglycerol-B-guaiacyl ether1-[4-hydroxy-3-(methyloxy)phenyl]-2-{[2-(methyloxy)phenyl]oxy}propane-1,3-diol

데이터베이스 식별자

CAS
7382-59-4
PubChem CID
6424189
ChEBI
CHEBI:53650
EC Number
804-088-9
Nikkaji
J208.557G

물성

구조 계산 물성보충 중

XLogP
1.7
극성 표면적
88.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
23

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (100%)

관련 반응

11건

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