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6-methyl-4-chromanone - 97%, high purity , CAS No.39513-75-2

COA

Grade & Purity:

≥97%

Cas Number: 39513-75-2
Molecular Weight: 162.19
MDL number: MFCD00024071
PubChem CID: 584354
PubChem SID: 488190455

In stock

Item Number

M135498

Grouped product items
SKU	Size	Availability	Price
M135498-200mg	200mg	3	$11.90
M135498-1g	1g	3	$45.90
M135498-5g	5g	2	$205.90
M135498-25g	25g	1	$923.90

View related series

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

Basic Description

Synonyms	MFCD00024071 \| DTXSID80342778 \| SY051992 \| 6-Methyl-4-chromanone, 97% \| 6-methyl-chroman-4-one \| 6-methylchroman-4-one \| 6-Methyl-2,3-dihydro-4H-chromen-4-one \| STL301228 \| AM20040369 \| M2249 \| 6-methyl-2,3-dihydrochromen-4-one \| 4H-1-Benzopyran-4-one, 2,
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	It used as a substrate for carbonyl reductase from Sporobolomyces salmonicolor, wherein it was reduced to the corresponding (R)-chiral alcohol. It has also been used as a substrate for the enantioselective reduction by 3 biocatalysts, namely, Didymosphaeria igniaria, Coryneum betulinum and Chaetomium sp.

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	Aryl alkyl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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	488190455
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190455
IUPAC Name	6-methyl-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKey	RJHXEPLSJAVTFW-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C1)OCCC2=O
Isomeric SMILES	CC1=CC2=C(C=C1)OCCC2=O
WGK Germany	3
Molecular Weight	162.19
Reaxy-Rn	118779
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118779&ln=

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

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.

10 results found

Lot Number	Certificate Type	Date	Item
H2308863	Certificate of Analysis	Aug 21, 2023	M135498
H2308858	Certificate of Analysis	Aug 19, 2023	M135498
H2308876	Certificate of Analysis	Aug 19, 2023	M135498
H2308859	Certificate of Analysis	Aug 19, 2023	M135498
H2308864	Certificate of Analysis	Aug 19, 2023	M135498
H2308857	Certificate of Analysis	Aug 19, 2023	M135498
H2308873	Certificate of Analysis	Aug 19, 2023	M135498
H2308866	Certificate of Analysis	Aug 19, 2023	M135498
D1912074	Certificate of Analysis	Dec 06, 2022	M135498
A2226119	Certificate of Analysis	Feb 10, 2022	M135498

Chemical and Physical Properties

Solubility	Soluble in Methanol
Flash Point(°C)	145 °C
Boil Point(°C)	162 °C/28 mmHg
Melt Point(°C)	35 °C
Molecular Weight	162.180 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	162.068 Da
Monoisotopic Mass	162.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188.000
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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