기본 정보
- 표준 SMILES
CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1- InChIKey
GIXXQTYGFOHYPT-UHFFFAOYSA-N- 분자식
- C24H26O2
- 평균 분자량
- 346.5 g/mol
- 단동위원소 질량
- 346.19328007
개요
Bisphenol P is a diarylmethane.
이름 및 식별자
- 우선 이름
- Bisphenol P
- IUPAC
- 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
- 영어명
- alpha,alpha'-Bis(4-hydroxyphenyl)-1,4-diisopropylbenzene
- 분자식
- C24H26O2
- 분자량
- 346.46
이름 및 동의어
Bisphenol P2167-51-34,4'-(1,4-Phenylenediisopropylidene)bisphenolDTXSID00586934-[1-[4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenyl]-1-methyl-ethyl]phenol4-(1-(4-(1-(4-hydroxyphenyl)-1-methyl-ethyl)phenyl)-1-methyl-ethyl)phenolRefChem:569576DTXCID3032381606-820-0alpha,alpha'-Bis(4-hydroxyphenyl)-1,4-diisopropylbenzene4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenolMFCD00191315
이름 더 보기
Bisphenol P SolutionLABOTEST-BB LT00159393Bisphenol P (100μg/mL)Bisphenol P in MethanolBisphenol A Impurity 42Bisphenol P in acetonitrileBisphenol P@10 mg/mL in MethanolBisphenol P 100 μg/mL in Methanol4,4'-(1,4-Phenylenebis(propane-2,2-diyl)
4-(2-{4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl}propan-2-yl)phenol1,4-Bis[2-(4-hydroxyphenyl)-2-propyl]benzene4,4'-[1,4-Phenylenedi(propane-2,2-diyl)]diphenol4-(1-{4-[1-(4-hydroxyphenyl)-isopropyl]phenyl}-isopropyl)phenol4,4'-(1,4-Phenylenebis(propane-2,2-diyl))diphenoldiphenol derivative, 104,4'-((p-Phenylene)diisopropylidene)diphenolSCHEMBL27996
데이터베이스 식별자
- CAS
2167-51-3- PubChem CID
- 630355
- DTXSID
DTXSID0058693- ChEMBL
CHEMBL452151- ChEBI
CHEBI:165197- EC Number
- 606-820-0
- Nikkaji
- J93.704E
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 389
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
180.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0058693]
180.64 Ų [M-H]-
물리화학적 성질
- 녹는점
- 193 · 193-195 °C(lit.)
- 끓는 점
- 246 °C · 246 °C(Press: 0.1 Torr)
- 밀도
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- 용해도
- very faint turbidity in Methanol
- 산도 계수 (pKa)
- 10.31 · 10.31±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChI
- 1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3
- InChIKey
- GIXXQTYGFOHYPT-UHFFFAOYSA-N
- SMILES
- CC(C)(c1ccc(O)cc1)c2ccc(cc2)C(C)(C)c3ccc(O)cc3
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29072990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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