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

4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol

HCID 634278CAS 110726-28-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIKey: WXYSZTISEJBRHW-UHFFFAOYSA-N
분자식: C29H28O3
평균 분자량: 424.5 g/mol
단동위원소 질량: 424.20384476

이름 및 식별자

우선 이름: 4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
IUPAC: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
현지명: 4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀
영어명: alpha,alpha,alpha'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene
분자식: C29H28O3
분자량: 424.53

이름 및 동의어

Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-DTXSID3073052EC 425-600-3Phenol, 4,4'-(1-(4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)bis-4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol4,4'-(1-{4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl}ethylidene)diphenol4,4'-(1-(4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)bisphenol4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bisphenolRefChem:506440DTXCID5033179425-600-3638-739-1

이름 더 보기

4-[4-[1,1-비스(4-하이드록시페닐)에틸]-α,α-디메틸벤질]페놀4-[4-[1,1-비스(4-하이드록시페닐)에틸]-.alpha.,.alpha.-디메틸벤질]페놀알파,알파,알파'-트리스(4-하이드록시페닐)-1-에틸-4-이소프로필벤젠Trisphenol PATrishydroxyphenylethylisopropylbezeneTriphenol ATRIS-PA (PHENOL)ethane-1,1-diyl)4,4'-(1-(4-(2-(4-Hydroxyphenyl)a,a,a'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzeneα,α,α'-Tris(4-hydroxyphenyl)-1- ethyl-4-isopropylbezene

110726-28-84,4'-(1-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenyl)ethane-1,1-diyl)diphenolalpha,alpha,alpha'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenolMFCD00191685C29H28O34-(2-{4-[1,1-BIS(4-HYDROXYPHENYL)ETHYL]PHENYL}PROPAN-2-YL)PHENOL4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol

데이터베이스 식별자

CAS: 110726-28-8
PubChem CID: 634278
DTXSID: DTXSID3073052
ChEMBL: CHEMBL455575
EC Number: 425-600-3、638-739-1
Nikkaji: J157.826J

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 32
형식 전하: 0
복잡도: 547

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionWet Solid

물리화학적 성질

녹는점: 225 °C · 225°C
끓는 점: 623.1 · 623.1±50.0 °C(Predicted)
밀도: 1.186 · 1.186±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 10.22 · 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: 4 · Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- (110726-28-8)

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

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

Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory.

Warning

유해성 정보

Regulatory Information · 3건

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 · 4건

Aquatic Chronic 4 (100%)

Skin Irrit. 2 (50%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

안전 데이터

tsca: TSCA listed
HS 번호: 2907.29.2500
risk_code: 36/37/38
safety_code: 26-36/37/39
기존화학 물질: KE-03233

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Consumer UsesSolvent

Industry UsesPhotosensitizers

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-: ACTIVE

응용 분야

용도α,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.

상·하류 제품 정보

상류 원료

1-[4-[1-[4-(아세틸옥시)페닐]-1-메틸에틸]페닐]에타논 1-[4-(2-하이드록시프로판-2-일)페닐]에타논 페놀

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

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