2,4-비스(알파,알파-다이메틸벤질)페놀
2,4-Dicumylphenol
기본 정보
- CAS
2772-45-4- 표준 SMILES
CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1- InChIKey
FMUYQRFTLHAARI-UHFFFAOYSA-N- 분자식
- C24H26O
- 평균 분자량
- 330.5 g/mol
- 단동위원소 질량
- 330.19836545
개요
an antihistaminic agent; structure in first source
이름 및 식별자
- 우선 이름
- 2,4-Dicumylphenol
- IUPAC
- 2,4-bis(2-phenylpropan-2-yl)phenol
- 현지명
- 2,4-비스(알파,알파-다이메틸벤질)페놀
- 영어명
- 2,4-Bis(alpha,alpha-dimethylbenzyl)phenol
- 분자식
- C24H26O
- 분자량
- 330.46
이름 및 동의어
2772-45-42,4-Bis(alpha,alpha-dimethylbenzyl)phenol2,4-Bis(1-methyl-1-phenylethyl)phenol2,4-DicumylphenolPhenol, 2,4-bis(1-methyl-1-phenylethyl)-DTXSID70292419U10Z6U3JPDTXCID909241AH5 phenol cpdRefChem:82218220-466-02,4-bis(2-phenylpropan-2-yl)phenol
이름 더 보기
2,4-비스(알파,알파-다이메틸벤질)페놀2,4-Bis(2,4-dibutanol2,4 DI-CUMYLPHENOL2,4-Bis(α,α-dimethyL2,4-bis(α,α-dimethylbenzyl)phenol2,4-Bis(α,α-dimethylbenzyl)phenol2,4-BIS(ALPHA,ALPHA-DIMETHYLBENZYL)
2,4-Di-alpha-cumylphenolMFCD001912422,4-Bis(|A,|A-dimethylbenzyl)phenolAKOS001017927NCGC00247990-02NCGC00247990-03Z56812043CAS-2772-45-4
데이터베이스 식별자
- CAS
2772-45-4- PubChem CID
- 76013
- DTXSID
DTXSID7029241- ChEMBL
CHEMBL3183863- UNII
- 9U10Z6U3JP
- EC Number
- 220-466-0
- Nikkaji
- J299.227B
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 412
실험 및 물리화학적 성질
Chemical ClassesUV filter
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOther Solid; Liquid
Collision Cross Section171.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7029241]
물리화학적 성질
- 녹는점
- 63 · 63-65 °C(lit.)
- 끓는 점
- 206 °C15 · 206 °C15 mm Hg(lit.)
- 밀도
- 1.063 · 1.063
- 굴절률
- 1.638 · 1.6380 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 10.71 · 10.71±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Phenol, 2,4-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-bis(1-methyl-1-phenylethyl)- 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)
Status: Active Update: 08-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17219
Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (95.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2907199090
- risk_code
- 26-27-36/39-36
- hazard_code
- Xi
- safety_code
- 26-27-28-36/39
- 기존화학 물질
- 2004-3-2610
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- 스토리지 클래스
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesAntioxidant
Industry UsesUV stabilizer
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: ACTIVE
응용 분야
용도UV Stabilizer and Antioxidant Intermediate
일반 설명2,4-Bis(α,α-dimethylbenzyl)phenol is reported to possess antihistaminic activity. Structure of 2,4-bis(α,α-dimethylbenzyl)phenol is reported to have a torsion angle of 129.95(13)° for the C-C bond that connects the benzyl carbon to the phenol ring ortho to the OH group.
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하류 제품
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