4,4'-Cyclohexylidenbisphenol

1,1-Bis(4-hydroxyphenyl)cyclohexane

HCID 232446CAS 843-55-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIKey: SDDLEVPIDBLVHC-UHFFFAOYSA-N
Summenformel: C18H20O2
Durchschnittliche Molmasse: 268,3 g/mol
Monoisotopische Masse: 268,14632988

Namen und Bezeichner

Bevorzugter Name: 1,1-Bis(4-hydroxyphenyl)cyclohexane
IUPAC: 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
Lokaler Name: 4,4'-Cyclohexylidenbisphenol
Englischer Name: 4,4'-Cyclohexylidenebisphenol
Summenformel: C18H20O2
Molmasse: 268.35

Namen und Synonyme

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

Weitere Namen anzeigen

1,1-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 20
Formalladung: 0
Komplexität: 269

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-192 °C(lit.)
Siedepunkt: 371.51 °C · 371.51°C (rough estimate)
Dichte: 1.0496 · 1.0496 (rough estimate)
Brechungsindex: 1.549 · 1.5490 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Wasserlöslichkeit: Practically insoluble in water
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 9.91 · 9.91±0.30(Predicted)
Farbe: White to Almost white
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
CAS Datenbank: 843 · 843-55-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and Categories · 2 Einträge

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