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3-Formyl-6-methylchromone - >98.0%(GC), high purity , CAS No.42059-81-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 42059-81-4
Molecular Weight: 188.18
MDL number: MFCD00138943
PubChem CID: 688709
PubChem SID: 488191131

In stock

Item Number

F156694

Grouped product items
SKU	Size	Availability	Price
F156694-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
F156694-1g	1g	3	$19.90
F156694-5g	5g	2	$43.90
F156694-25g	25g	2	$196.90

View related series

Benzopyrans (61) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	UPCMLD0ENAT5342286:001 \| Z85934240 \| STK399814 \| 6-Methylchromone-3-carboxaldehyde \| 3-Formyl-6-methylchromone, 97% \| F2121-0035 \| 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde \| MFCD00138943 \| SCHEMBL911098 \| F1005 \| J-518899 \| 5C-082 \| 3-Formyl-6-meth
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-Formyl-6-methylchromone is a 3-formyl-substituted chromone. The combustion calorimetric estimation of the enthalpy of combustion of 3-formyl-6-methylchromone has been reported. Its anti-proliferative action on the MDR human colon cancer and mouse lymphoma has been investigated. 3-Formyl-6-methylchromone has been used for the synthesis of 3-formyl-6-methylchromone-4-phenylthiosemicarbazone. 3-Formyl-6-methylchromone may be used in the preparation of series of Schiff′s bases, via reaction with aromatic sulfonamides, such as sulfanilamide, homosulfanilamide, 4-aminoethyl-benzenesulfonamide, a pyrimidinyl-substituted sulfanilamide derivative, sulfaguanidine and 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide. It may be used in the preparation of Schiff base, which undergoes addition reaction with diethyl phosphite to afford bis[(1,2,4,3-triazaphospholyl)(chromonyl)aminomethylphosphonate] derivative and bis[(1,2,4,3-triazaphospholyl)(chromonyl)phosphorylamino-methylphosphonate] derivative.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Pyranones and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl-aldehyde - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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	488191131
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191131
IUPAC Name	6-methyl-4-oxochromene-3-carbaldehyde
INCHI	InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChIKey	GBWMIOYSMWCYIZ-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C1)OC=C(C2=O)C=O
Isomeric SMILES	CC1=CC2=C(C=C1)OC=C(C2=O)C=O
WGK Germany	3
Molecular Weight	188.18
Reaxy-Rn	1073905
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073905&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
F1913248	Certificate of Analysis	Apr 11, 2023	F156694
G2315463	Certificate of Analysis	Sep 24, 2021	F156694

Chemical and Physical Properties

Sensitivity	Air sensitive
Melt Point(°C)	170.0 to 174.0 °C
Molecular Weight	188.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.047 Da
Monoisotopic Mass	188.047 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293.000
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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