Basic information
- CAS
843-55-0- Standard SMILES
Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1- InChIKey
SDDLEVPIDBLVHC-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 1,1-Bis(4-hydroxyphenyl)cyclohexane
- IUPAC
- 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
- English name
- 4,4'-Cyclohexylidenebisphenol
- Molecular formula
- C18H20O2
- Molecular weight
- 268.35
Names & synonyms
843-55-0Bisphenol Z1,1-Bis(4-hydroxyphenyl)cyclohexane4,4'-Cyclohexylidenebisphenol4-[1-(4-hydroxyphenyl)cyclohexyl]phenolAntigene WBis-ZDTXSID4047963DTXCID002793964ZF6464QYNSC-29881NSC-50761
Show more names
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
Database identifiers
- CAS
843-55-0- PubChem CID
- 232446
- DTXSID
DTXSID4047963- ChEMBL
CHEMBL1231453- ChEBI
CHEBI:165198- UNII
- 64ZF6464QY
- EC Number
- 212-677-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
Collision Cross Section174.21 Ų [M-H]-
Physicochemical properties
- Melting point
- 190 · 190-192 °C(lit.)
- Boiling point
- 371.51 °C · 371.51°C (rough estimate)
- Density
- 1.0496 · 1.0496 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Practically insoluble in water
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.91 · 9.91±0.30(Predicted)
- color
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory InformationChemical: Phenol, 4,4'-cyclohexylidenebis-
Hazard Classes and Categories
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
Regulatory information
Regulatory InformationChemical: Phenol, 4,4'-cyclohexylidenebis-
Safety data
Chemistry & industry
Applications
UsesBisphenol Z is one of the many derivatives of Bisphenol A (B519495) that can be used as HIF (hypoxia-inducible factor) inhibitors, antitumor agents, angiogenesis inhibitors, and antihypoxic agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
T&W GROUP
Related reactions
10 records
Compound notes
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