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1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane - >98.0%(HPLC), high purity , CAS No.4221-68-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 4221-68-5
Molecular Weight: 432.65
PubChem CID: 21943953

In stock

Item Number

B153090

Grouped product items
SKU	Size	Availability	Price	Qty
B153090-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
B153090-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

View related series

Cyclohexane (81) Diol monomer (70)

Basic Description

Synonyms	1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane \| 4221-68-5 \| 4,4'-Cyclohexylidenebis(2-cyclohexylphenol) \| UNII-4KE1SHW73I \| 4,4'-(Cyclohexane-1,1-diyl)bis(2-cyclohexylphenol) \| 4KE1SHW73I \| 4,4'-Cyclohexylidenebis(2- cyclohexylphenol) \| B-2752 \| 2-cyclohexyl-4-[1-(3-c
Specifications & Purity	≥98%(HPLC)
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Cyclohexylphenols 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Cyclohexylphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]phenol
INCHI	InChI=1S/C30H40O2/c31-28-16-14-24(20-26(28)22-10-4-1-5-11-22)30(18-8-3-9-19-30)25-15-17-29(32)27(21-25)23-12-6-2-7-13-23/h14-17,20-23,31-32H,1-13,18-19H2
InChIKey	DNCLEPRFPJLBTQ-UHFFFAOYSA-N
Smiles	C1CCC(CC1)C2=C(C=CC(=C2)C3(CCCCC3)C4=CC(=C(C=C4)O)C5CCCCC5)O
Isomeric SMILES	C1CCC(CC1)C2=C(C=CC(=C2)C3(CCCCC3)C4=CC(=C(C=C4)O)C5CCCCC5)O
Molecular Weight	432.65
Reaxy-Rn	2311344
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2311344&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	432.600 g/mol
XLogP3	10.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	432.303 Da
Monoisotopic Mass	432.303 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	525.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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