6-Hydroxy-4-methyl-2-benzopyrone

HCID 75409

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2373-31-1
Standard SMILES: Cc1cc(=O)oc2ccc(O)cc12
InChIKey: IRUHWRSITUYICV-UHFFFAOYSA-N
Molecular formula: C10H8O3
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.04734411

Names & identifiers

Preferred name: 6-Hydroxy-4-methyl-2-benzopyrone
IUPAC: 6-hydroxy-4-methylchromen-2-one
English name: 6-Hydroxy-4-methylcoumarin
Molecular formula: C10H8O3
Molecular weight: 176.17

Names & synonyms

6-Hydroxy-4-methylcoumarin2373-31-16-hydroxy-4-methylchromen-2-one6-Hydroxy-4-methyl-2-benzopyroneEINECS 219-146-3DTXSID901784046-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyroneRefChem:543396DTXCID80100895219-146-36-hydroxy-4-methyl-2H-chromen-2-one6-Hydroxy-4-methyl-chromen-2-one

Show more names

AURORA KA-3310l0-diMethoxy pt11 aR)-3-hydroxy-9Coumarin Impurity 274-METHYL-6-HYDROXYCOUMARIN6-hydroxy-4-methylycoumarinHYDROXY-4-METHYLCOUMARIN, 6-6-Hydroxy-4-methylcoumarin>6-Hydroxy-4-methylcoumarin,99%

6-Hydroxy-4-Methyl-2H-1-Benzopyran-2-One2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-MFCD000169671-Methyl-6-hydroxy-cumarinCHEMBL12626HY-N6658GN69998000H1005

Database identifiers

CAS: 2373-31-1
PubChem CID: 75409
DTXSID: DTXSID90178404
ChEMBL: CHEMBL12626
EC Number: 219-146-3
Nikkaji: J213.233H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 257

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point: 246.5 · 246.5-249.5 °C(lit.)
Boiling point: 391.4 · 391.4±37.0 °C(Predicted)
Density: 1.319 · 1.319±0.06 g/cm3(Predicted)
pka: 9.03 · 9.03±0.20(Predicted)
form: powder to crystal
color: White to Gray to Brown
BRN: 144873 · 144873
CAS DataBase Reference: 2373 · 2373-31-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 6999800 · GN6999800
Hazard Note: Irritant
HS Code: 2932209088 · 2932209088

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
rtecs: GN6999800
hs_code: 2932209088
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Description6-Hydroxy-4-methylcoumarin is one of the coumarin compounds. Coumarin compounds have anticoagulant, antitumor, antiviral, autoimmune enhancement, anti-cell proliferation, antibacterial, anti-AIDS, anti-fatigue and calcium antagonistic effects.

Uses6-Hydroxy-4-methylcoumarin is an organic compound, which has various pharmacological activities and can be used in the production of medicine.

Suppliers89 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

4 records

New reaction record

HRID 228894As reactantuspto-grants-2009_07

HRID 564034As reactantuspto-grants-2011_11

HRID 1444800As reactantuspto-grants-2010_02

HRID 1536744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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