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2-Allyl-4,6-dibenzoylresorcinol - 98%, high purity , CAS No.102593-74-8

COA

Grade & Purity:

≥98%

Cas Number: 102593-74-8
Molecular Weight: 358.4
Beilstein Registry Number: 2168154
MDL number: MFCD02094038
PubChem CID: 7010346
PubChem SID: 504764527

In stock

Item Number

A123367

Grouped product items
SKU	Size	Availability	Price
A123367-5g	5g	5	$64.90
A123367-25g	25g	4	$253.90
A123367-100g	100g	2	$913.90

Basic Description

Synonyms	CEA59374 \| CS-W011826 \| FT-0610992 \| A800587 \| 4,6-dibenzoyl-2-(prop-2-en-1-yl)benzene-1,3-diol \| E82997 \| DTXSID7073010 \| MFCD02094038 \| Methanone, 1,1'-(4,6-dihydroxy-5-(2-propen-1-yl)-1,3-phenylene)bis(1-phenyl- \| [2,4-bis(oxidanyl)-5-(phenylcarbonyl)-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	Benzophenones Diphenylmethanes Aryl-phenylketones Resorcinols Benzoyl derivatives Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Resorcinol - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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

Pubchem Sid	504764527
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764527
IUPAC Name	(5-benzoyl-2,4-dihydroxy-3-prop-2-enylphenyl)-phenylmethanone
INCHI	InChI=1S/C23H18O4/c1-2-9-17-22(26)18(20(24)15-10-5-3-6-11-15)14-19(23(17)27)21(25)16-12-7-4-8-13-16/h2-8,10-14,26-27H,1,9H2
InChIKey	FSYGSBMXRNPJAD-UHFFFAOYSA-N
Smiles	C=CCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O
Isomeric SMILES	C=CCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O
Molecular Weight	358.4
Beilstein	2168154
Reaxy-Rn	2168154
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2168154&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G1802139	Certificate of Analysis	May 05, 2022	A123367
C2302445	Certificate of Analysis	Jan 14, 2022	A123367
C2302446	Certificate of Analysis	Jan 14, 2022	A123367
B2210015	Certificate of Analysis	Jan 14, 2022	A123367
B2210124	Certificate of Analysis	Jan 14, 2022	A123367
B2210179	Certificate of Analysis	Jan 14, 2022	A123367

Chemical and Physical Properties

Melt Point(°C)	158-163°C
Molecular Weight	358.400 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	358.121 Da
Monoisotopic Mass	358.121 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	488.000
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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