4'-히드록시-3',5'-디메틸아세토페논

3,5-디메틸-4-히드록시아세토페논 · 3,5-Dimethyl-4-hydroxyacetophenone · 3',5'-Dimethyl-4'-hydroxyacetophenone · 4'-hydroxy-3',5'-dimethylacetophenone · 1-(4-hydroxy-3,5-dimethylphenyl)ethanone · 1-(3,5-Dimethyl-4-hydroxyphenyl)ethan-1-one · Ethanone, 1-(4-hydroxy-3,5-dimethylphenyl)- · JR-8713, 4'-Hydroxy-3',5'-dimethylacetophenone, 97%

https://huagongshe.com/ko/chemical/36581

식별자 및 물리적 특성

CAS No.	5325-04-2
분자식	C10H12O2
평균 분자량	164.2 g/mol
단동위원소 질량	164.08372962 g/mol
SMILES	CC(=O)c1cc(C)c(O)c(C)c1
InChIKey	MUWPKXVVEOGKNO-UHFFFAOYSA-N
PubChem CID	36581
EC No.	628-048-3
DTXSID	DTXSID10275388
현지명	4'-히드록시-3',5'-디메틸아세토페논

화학 및 물리적 성질

XLogP	1
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	165
녹는점	151-155 °C (lit.)
끓는 점	314.9±37.0 °C(Predicted)
밀도	1.080±0.06 g/cm3(Predicted)
pKa(산도 계수)	8.88±0.23(Predicted)
물리적 상태	가루
색상	베이지색
InChI	1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
InChIKey	MUWPKXVVEOGKNO-UHFFFAOYSA-N
SMILES	CC(=O)c1cc(C)c(O)c(C)c1

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 39 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	2914500090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

제조 및 합성 방법

제조 방법

Preparation by Fries rearrangement of 2,6-dimethylphenyl acetate, with aluminium chloride, without solvent at 120–140°,in nitrobenzene at r.t. (75%) or in nitromethane, first at 0°, then at 50° for 48 h under argon atmosphere (61%) with aluminium bromide without solvent at 130° (71%).