4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀

4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀 · 4-[4-[1,1-비스(4-하이드록시페닐)에틸]-.alpha.,.alpha.-디메틸벤질]페놀 · 알파,알파,알파'-트리스(4-하이드록시페닐)-1-에틸-4-이소프로필벤젠 · Trisphenol PA · Trishydroxyphenylethylisopropylbezene · 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol · 4,4'-(1-(4-(2-(4-Hydroxyphenyl)propan-2-yl)phenyl)ethane-1,1-diyl)diphenol · Triphenol A

https://huagongshe.com/ko/chemical/634278

4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀 분자 구조식

식별자 및 물리적 특성

CAS No.	110726-28-8
분자식	C29H28O3
평균 분자량	424.5 g/mol
단동위원소 질량	424.20384476 g/mol
SMILES	CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIKey	WXYSZTISEJBRHW-UHFFFAOYSA-N
PubChem CID	634278
ChEMBL	CHEMBL455575
EC No.	425-600-3
DTXSID	DTXSID3073052
현지명	4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀

화학 및 물리적 성질

XLogP	6.9
극성 표면적	60.7
수소 결합 공여자 수	3
수소 결합 수용자 수	3
회전 가능 결합 수	5
무거운 원자 수	32
형식 전하	0
복잡도	547
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Wet Solid
녹는점	225°C
끓는 점	623.1±50.0 °C(Predicted)
밀도	1.186±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
pKa(산도 계수)	10.22±0.10(Predicted)
색상	흰색에서 거의 흰색
InChI	InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3
InChIKey	WXYSZTISEJBRHW-UHFFFAOYSA-N
SMILES	C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=C(C(C2=CC=C(O)C=C2)(C)C)C=C1)C
EPA	Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- (110726-28-8)

안전 및 규제

GHS 분류	H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory.Warning
규제 정보	Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33600
Hazard Classes and Categories	Aquatic Chronic 4 (100%)Skin Irrit. 2 (50%)Hazardous to the aquatic environment (chronic) - category 4Aquatic Chronic 4
TSCA 등재 상태	TSCA listed
관세 코드	2907.29.2500
위험 문구(R)	36/37/38
안전 문구(S)	26-36/37/39
기존화학 물질	KE-03233

용도

α,α,α''-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene is a useful reactant in the synthesis of single-walled carbon nanotubes (SWNTs) through irradation with an IR laser.