6,7-Dihydroxy-4-methyl-2H-chromen-2-one

Modify Date: 2025-09-03 11:14:49

6,7-Dihydroxy-4-methyl-2H-chromen-2-one structure	Common Name	6,7-Dihydroxy-4-methyl-2H-chromen-2-one
	CAS Number	529-84-0	Molecular Weight	192.168
	Density	1.5±0.1 g/cm3	Boiling Point	455.5±45.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₈O₄	Melting Point	274-276 °C(lit.)
	MSDS	N/A	Flash Point	190.8±22.2 °C

Use of 6,7-Dihydroxy-4-methyl-2H-chromen-2-one

4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].

Name	4-methylesculetin
Synonym	More Synonyms

Description	4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].
Related Catalog	Research Areas >> Inflammation/Immunology
References	[1]. Witaicenis A, et al. 4-methylesculetin, a coumarin derivative, ameliorates dextran sulfate sodium-induced intestinal inflammation. Chem Biol Interact. 2018 Jan 25;280:59-63.

Density	1.5±0.1 g/cm3
Boiling Point	455.5±45.0 °C at 760 mmHg
Melting Point	274-276 °C(lit.)
Molecular Formula	C₁₀H₈O₄
Molecular Weight	192.168
Flash Point	190.8±22.2 °C
Exact Mass	192.042252
PSA	70.67000
LogP	2.08
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.652
InChIKey	KVOJTUXGYQVLAJ-UHFFFAOYSA-N
SMILES	Cc1cc(=O)oc2cc(O)c(O)cc12
Storage condition	2-8°C
Water Solubility	DMF: soluble

6,7-Dihydroxy-4-methyl-2H-chromen-2-one MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN6384500

CHEMICAL NAME :: Coumarin, 6,7-dihydroxy-4-methyl-

CAS REGISTRY NUMBER :: 529-84-0

BEILSTEIN REFERENCE NO. :: 0162550

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H8-O4

MOLECULAR WEIGHT :: 192.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5130 mg/kg

TOXIC EFFECTS :: Cardiac - arrhythmias (including changes in conduction) Cardiac - cardiomegaly Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 20,879,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967

Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
WGK Germany	2
RTECS	GN6384500
HS Code	2932209090

Precursor 10
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CAS#:90-33-5 4-Methylumbelli... CAS#:674-82-8 Diketene
DownStream 6
CAS#:55939-28-1 6,7-DIACETOXY-4... CAS#:4281-40-7 6,7-Dimethoxy-4... CAS#:3374-03-6 2H-1-Benzopyran... CAS#:6345-62-6 6-Hydroxy-7-met...
CAS#:30211-36-0 9-methyl-2,3-di... CAS#:29334-07-4 4-METHYL-6,7-BI...

HS Code	2932209090
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Name: Induction of apoptosis in human U937 cells assessed as active 11 kDa fragment of casp...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2209386

Name: Selectivity index, ratio of IC50 for human recombinant aldose reductase 1 to IC50 for...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1260801

Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS

Name: Selectivity index, ratio of IC50 for sorbitol dehydrogenase to IC50 for kidney aldose...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1260800

Name: Inhibition sorbitol dehydrogenase by spectrophotometric analysis
Source: ChEMBL
Target: Sorbitol dehydrogenase
External Id: CHEMBL1260799

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: Spectrum HTS for Inhibitors of Aerobactin Synthetase IucA
Source: 23265
Target: IucA Synthetase from hypervirulent Klebsiella pneumoniae hvKP1
External Id: IucA Pilot Assay Spectrum Library

Name: Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimo...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1B3
External Id: CHEMBL3039491

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