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4，4'-(2-Ethylhexane-1，1-diyl)diphenol - ≥95%, high purity , CAS No.74462-02-5

COA

Grade & Purity:

≥95%

Cas Number: 74462-02-5
Molecular Weight: 298.4
EC Number: 680-046-1
PubChem CID: 13782487

In stock

Item Number

D768706

Grouped product items
SKU	Size	Availability	Price	Qty
D768706-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - 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	4-[2-ethyl-1-(4-hydroxyphenyl)hexyl]phenol
INCHI	InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3
InChIKey	XXHIPRDUAVCXHW-UHFFFAOYSA-N
Smiles	CCCCC(CC)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Isomeric SMILES	CCCCC(CC)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Alternate CAS	74462-02-5
PubChem CID	13782487
Molecular Weight	298.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	298.400 g/mol
XLogP3	6.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	298.193 Da
Monoisotopic Mass	298.193 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	266.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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