4,4'-사이클로헥실리덴비스페놀

1,1-Bis(4-hydroxyphenyl)cyclohexane

HCID 232446CAS 843-55-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIKey: SDDLEVPIDBLVHC-UHFFFAOYSA-N
분자식: C18H20O2
평균 분자량: 268.3 g/mol
단동위원소 질량: 268.14632988

이름 및 식별자

우선 이름: 1,1-Bis(4-hydroxyphenyl)cyclohexane
IUPAC: 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
현지명: 4,4'-사이클로헥실리덴비스페놀
영어명: 4,4'-Cyclohexylidenebisphenol
분자식: C18H20O2
분자량: 268.35

이름 및 동의어

843-55-0Bisphenol Z1,1-Bis(4-hydroxyphenyl)cyclohexane4,4'-Cyclohexylidenebisphenol4-[1-(4-hydroxyphenyl)cyclohexyl]phenolAntigene WBis-ZDTXSID4047963DTXCID002793964ZF6464QYNSC-29881NSC-50761

이름 더 보기

1,1-비스(4-히드록시페닐)-사이클로헥산4,4'-사이클로헥실리덴비스페놀1,1-Bis(4-hydroxyphenyl)cyclohexane (Bisphenol Z)Ai3-16834Ccris 4918Einecs 212-677-1ZERENEX ZX005270Bisphenol Z SolutionBisphenol Z (100μg/mL)

BPCH cpd4-(1-(4-Hydroxyphenyl)cyclohexyl)phenolRefChem:506588212-677-14,4'-(cyclohexane-1,1-diyl)diphenolPhenol, 4,4'-cyclohexylidenebis-4,4'-cyclohexane-1,1-diyldiphenolDian C

데이터베이스 식별자

CAS: 843-55-0
PubChem CID: 232446
DTXSID: DTXSID4047963
ChEMBL: CHEMBL1231453
ChEBI: CHEBI:165198
UNII: 64ZF6464QY
EC Number: 212-677-1
Nikkaji: J39.602H

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 269

실험 및 물리화학적 성질

Collision Cross Section174.21 Å² [M-H]-

물리화학적 성질

녹는점: 190 · 190-192 °C(lit.)
끓는 점: 371.51 °C · 371.51°C (rough estimate)
밀도: 1.0496 · 1.0496 (rough estimate)
굴절률: 1.549 · 1.5490 (estimate)
저장 조건: Inert atmosphere,Room Temperature
수용성: 물에 거의 녹지 않음
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.91 · 9.91±0.30(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
InChIKey: SDDLEVPIDBLVHC-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CCCCC1

화학적 성질

White Crystal

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: Phenol, 4,4'-cyclohexylidenebis-

Hazard Classes and Categories · 2건

Skin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (97.6%)

Reproductive toxicity - Category 2；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

규제 정보

Regulatory InformationChemical: Phenol, 4,4'-cyclohexylidenebis-

안전 데이터

wgk: 3
ridadr: 3077
HS 번호: 29072990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 9
기존화학 물질: KE-0924397-3-63
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-사이클로헥실페놀

공급사50 곳

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