4,4′-이소프로필아이덴비스(2,6-디메틸페놀)
4,4'-Isopropylidenedi-2,6-xylol
기본 정보
- CAS
5613-46-7- 표준 SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O- InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N- 분자식
- C19H24O2
- 평균 분자량
- 284.4 g/mol
- 단동위원소 질량
- 284.17763
이름 및 식별자
- 우선 이름
- 4,4'-Isopropylidenedi-2,6-xylol
- IUPAC
- 4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
- 현지명
- 4,4′-이소프로필아이덴비스(2,6-디메틸페놀)
- 영어명
- 2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
- 분자식
- C19H24O2
- 분자량
- 284.39
이름 및 동의어
4,4'-Isopropylidenedi-2,6-xylolRefChem:506703227-033-55613-46-72,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)tetramethyl bisphenol ATetramethylbisphenol A4,4'-propane-2,2-diylbis(2,6-dimethylphenol)4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propaneMFCD00068238
이름 더 보기
4,4′-이소프로필아이덴비스(2,6-디메틸페놀)2,2-BIS(4-하이드록시-3,5-디메틸페닐)프로판Nsc73730Bisxylenol ALABOTEST-BB LT00159397Adrenaline Impurity 54bisphenol a, tetramethyl4,4-isopropylidenedi-2,6-xylol3,3’,5,5'-tetramethylbisphenol A4,4'-Isopropylidenedi-2,6-xylenol
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-TetramethylbisphenolADTXSID80479734,4'-Isopropylidenebis(2,6-dimethylphenol)NSC 737304-[1-(4-Hydroxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenolbis(2,6-dimethylphenol), 2DTXCID4027949
데이터베이스 식별자
- CAS
5613-46-7- PubChem CID
- 79717
- DTXSID
DTXSID8047973- ChEMBL
CHEMBL480406- UNII
- Z5K58M3L3E
- EC Number
- 227-033-5
- Nikkaji
- J225.054C
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 295
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047973]
물리화학적 성질
- 녹는점
- 162 · 162-165 °C (lit.)
- 끓는 점
- 420.6 · 420.6±40.0 °C(Predicted)
- 밀도
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.6 · 10.60±0.10(Predicted)
- 색상
- 미색부터 옅은 갈색까지
- 수용성
- 3.17 mg/L · 3.17mg/L at 20℃
- 안정성
- 흡습성
- InChI
- InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
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
H315 (95.2%): 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 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
Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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)
REACH registered substance: 4,4'-isopropylidenedi-2,6-xylol (EC: 227-033-5)
Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29072990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2022: 147,840 lb
Industry UsesFlame retardant
General Manufacturing Information
Plastics Product Manufacturing
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-: ACTIVE
상·하류 제품 정보
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하류 제품
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