1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one

AKOS 212-80 · 3,4-Methoxy-2-Hydroxyacetophenone · 3,4-DIMETHOXY-2-HYDROXYACETOPHENONE · GALLACETOPHENONE-3,4-DIMETHYL ETHER · 2-HYDROXY-3,4-DIMETHOXYACETOPHENONE · 2-HYDROXY-3,4'-DIMETHOXYACETOPHENONE · GALLACETOPHENONE 3',4'-DIMETHYL ETHER · Gallacetophenone 3’，4’-Dimethyl Ether

https://huagongshe.com/ko/chemical/219639

1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one 분자 구조식

식별자 및 물리적 특성

CAS No.	5396-18-9
분자식	C10H12O4
평균 분자량	196.2 g/mol
단동위원소 질량	196.07355886 g/mol
SMILES	COc1ccc(C(C)=O)c(O)c1OC
InChIKey	BCEPNLMYVYJIHU-UHFFFAOYSA-N
PubChem CID	219639
EC No.	680-108-8
DTXSID	DTXSID40277214

화학 및 물리적 성질

XLogP	1.9
극성 표면적	55.8
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	14
형식 전하	0
복잡도	204
녹는점	75-77°C
끓는 점	308.1±37.0 °C(Predicted)
밀도	1.172±0.06 g/cm3(Predicted)
저장 조건	Refrigerator
용해도	클로로포름, 메탄올에 용해됨
pKa(산도 계수)	9.79±0.15(Predicted)
물리적 상태	가루
색상	회백색
InChI	InChI=1S/C10H12O4/c1-6(11)7-4-5-8(13-2)10(14-3)9(7)12/h4-5,12H,1-3H3
InChIKey	BCEPNLMYVYJIHU-UHFFFAOYSA-N
SMILES	C(=O)(C1=CC=C(OC)C(OC)=C1O)C

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류	WarningH315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29145090
위험 표시	Xi
저장 분류	11 - Combustible Solids

용도

Gallacetophenone 3’,4’-Dimethyl ether is a phenolic compound with potential 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging activity.

제조 및 합성 방법

제조 방법

Preparation by reaction of acetyl chloride on pyrogallol trimethyl ether,with aluminium chloride in carbon disulfide, in boiling ethyl ether (77%) or in benzene at 45–50° (77%) with mercuric chloride without solvent at 100° (40%).