Skip to the beginning of the images gallery

1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1，3-dione - ≥97%, high purity , CAS No.29976-82-7

COA

Grade & Purity:

≥97%

Cas Number: 29976-82-7
Molecular Weight: 254.28
PubChem CID: 736658

In stock

Item Number

P690715

Grouped product items
SKU	Size	Availability	Price
P690715-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
P690715-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
P690715-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$845.90
P690715-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,143.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retro-dihydrochalcones
Alternative Parents	2'-Hydroxy-dihydrochalcones Cinnamylphenols Alkyl-phenylketones Butyrophenones Para cresols Benzoyl derivatives Aryl alkyl ketones Toluenes Beta-diketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2'-hydroxy-dihydrochalcone - Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - P-cresol - Aryl ketone - Aryl alkyl ketone - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1,3-diketone - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Vinylogous acid - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
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	1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
INCHI	InChI=1S/C16H14O3/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKey	OKAQJPKEOQHKKY-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2
Isomeric SMILES	CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2
PubChem CID	736658
Molecular Weight	254.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.280 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	254.094 Da
Monoisotopic Mass	254.094 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	331.000
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

Solution Calculators

Molarity Calculator

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

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration