Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

2 results found

Lot Number	Certificate Type	Fecha	Articulo
L1813015	Certificate of Analysis	Jul 05, 2024	D170400
L1813016	Certificate of Analysis	Jul 05, 2024	D170400

Propiedades químicas y físicas

Punto de ebullición (°C)	154 °C
Punto de fusión (°C)	58-64°C
Peso molecular	196.330 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	196.183 Da
Monoisotopic Mass	196.183 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	137.000
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

Calculadoras de soluciones

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Reseñas

Pubchem Sid	488185533
Sonrisas canónicas	C1CCC(CC1)C(C2CCCCC2)O
IUPAC Name	dicyclohexylmethanol
InChIKey	DEFUSPNGFCCTEU-UHFFFAOYSA-N
INCHI	1S/C13H24O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14H,1-10H2
Isómeros SMILES	C1CCC(CC1)C(C2CCCCC2)O
WGK Alemania	3
Peso molecular	196.33
Beilstein	1926670
Reaxy-Rn	1926669
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1926669&ln=

Dicyclohexylmethanol - ≥98% , CAS No.4453-82-1

Specifications