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1,1-Bis(4-hydroxy-3-methylphenyl)cyclohexane - 98%, high purity , CAS No.2362-14-3

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1,1-Bis(4-hydroxy-3-methylphenyl)cyclohexane - 98%, high purity , CAS No.2362-14-3

COA

Grade & Purity:

≥98%

Cas Number: 2362-14-3
Molecular Weight: 296.41
Beilstein Registry Number: 6(4)6875
PubChem CID: 75386
PubChem SID: 504754940

In stock

Item Number

B153091

Grouped product items
SKU	Size	Availability	Price
B153091-1g	1g	3	$9.90
B153091-5g	5g	3	$31.90
B153091-25g	25g	2	$119.90

View related series

Cyclohexane (81) Oxygenated compounds (806)

Basic Description

Synonyms	[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone \| EINECS 219-110-7 \| PW8LG6KU6K \| MFCD00086141 \| FT-0634219 \| Arilate \| D88961 \| SCHEMBL74159 \| Dimethyl Cyclohexyl Bisphenol \| B2753 \| 1,1-Bis(3-methyl-4-hydroxyphenyl)cyclohexane \| 1,1-BI
Specifications & Purity	≥98%
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 Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Cyclohexylphenol - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754940
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754940
IUPAC Name	4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
INCHI	InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
InChIKey	SVOBELCYOCEECO-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O
Isomeric SMILES	CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O
Molecular Weight	296.41
Beilstein	6(4)6875
Reaxy-Rn	2059286
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059286&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2316134	Certificate of Analysis	Nov 06, 2023	B153091
K2316132	Certificate of Analysis	Nov 06, 2023	B153091
K2316130	Certificate of Analysis	Nov 06, 2023	B153091
K2316131	Certificate of Analysis	Nov 06, 2023	B153091
K2316436	Certificate of Analysis	Nov 06, 2023	B153091
K2316439	Certificate of Analysis	Nov 06, 2023	B153091

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	191 °C
Molecular Weight	296.400 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	296.178 Da
Monoisotopic Mass	296.178 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	333.000
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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