2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논

2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논 · α-Methyl-α-hydroxy-4'-isopropylpropiophenone · α-Hydroxy-4'-isopropyl-α-methylpropiophenone · 2-hydroxy-4'-isopropyl-2-methylpropiophenone · 1-(4-Isopropylpheny)-2-hydroxy-2-methyl-1-propanone · 2-hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one · 1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE · 1-(4-Isopropylphenyl)-2-hydroxy-2-methylpropane-1-one

https://huagongshe.com/ko/chemical/112291

2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논 분자 구조식

식별자 및 물리적 특성

CAS No.	69673-85-4
분자식	C13H18O2
평균 분자량	206.28 g/mol
단동위원소 질량	206.13067982 g/mol
SMILES	CC(C)c1ccc(C(=O)C(C)(C)O)cc1
InChIKey	QPXVRLXJHPTCPW-UHFFFAOYSA-N
PubChem CID	112291
EC No.	274-073-4
DTXSID	DTXSID2071990
현지명	2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논

화학 및 물리적 성질

XLogP	2.9
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	15
형식 전하	0
복잡도	223
끓는 점	323.1±17.0 °C(Predicted)
밀도	1.023±0.06 g/cm3(Predicted)
pKa(산도 계수)	12.94±0.29(Predicted)
InChI	InChI=1S/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3
InChIKey	QPXVRLXJHPTCPW-UHFFFAOYSA-N
SMILES	C(C1=CC=C(C(C)C)C=C1)(=O)C(O)(C)C
EPA	1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- (69673-85-4)

안전 및 규제

규제 정보	Chemical: 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-
TSCA 등재 상태	TSCA listed
기존화학 물질	KE-20658