3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one

Basic Information

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CAS Number

53696-74-5

Molecular Formula

C12H10O5

Molecular Weight

234.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

250-255 ºC

Boiling Point

565 ºC at 760 mmHg

Density

1.476

Flash Point

227.2 ºC

Refractive Index

1.642

SMILES

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CC(=O)C1=CC2=C(C=C(C=C2OC1=O)O)CO

InChI

InChI=1S/C12H10O5/c1-6(14)9-4-10-7(5-13)2-8(15)3-11(10)17-12(9)16/h2-4,13,15H,5H2,1H3

InChIKey

XVZWWNMZVZWQKU-UHFFFAOYSA-N

LogP

1.1934999999999996

Topological Polar Surface Area

87.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

373

Synonyms & References

English

ARMILLARISINUMA
3-ethanoyl-5-(hydroxymethyl)-7-oxidanyl-chromen-2-one
CS-0027150
3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one
3-acetyl-7-hydroxy-5-(hydroxymethyl)-1-benzopyran-2-one
2H-1-BENZOPYRAN-2-ONE, 3-ACETYL-7-HYDROXY-5-(HYDROXYMETHYL)-
MS-23349
DTXSID40201953
HY-108013
3-Acetyl-5-hydroxylmethyl-7-hydroxycoumarin
M5864MH5CT
BCP13473
3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one
3-Acetyl-5-hydroxymethyl-7-hydroxycoumarin
AC-8248
A829738
FT-0652980
AKOS005766028
Armillarisin A
53696-74-5
Q10883374
UNII-M5864MH5CT
3-acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one
ARMILLARISIN A [WHO-DD]
3-acetyl-5-hydroxymethyl-7-hydroxycoumarin
3-acetyl-7-hydroxy-5-(hydroxymethyl)-2h-1-benzopyran-2-on
3-acetyl-7-hydroxy-5-(hydroxymethyl)-2h-1-benzopyran-2-one
3-ACETYL-5-HYDROXYLMETHYL-7-HYDROXYCOUMARIN
3-acetyl-5-hydroxylmetyl-7-hydroxycoumarin
ARMILLARISINUM A
Armillarisinum

MDL Number

MFCD01662561

Customs Code

2932209090

FAQ

What regulatory guidelines apply to 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5)?

Regulatory guidelines for 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) include GHS classification, which places it under certain hazard categories. For manufacturing and distribution, REACH regulations apply, requiring registration and reporting of safety data. FDA and EPA have oversight for its use in pharmaceuticals and environmental releases, respectively. Compliance with these guidelines ensures safe handling and disposal.

Are there alternatives to 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) in synthesis?

Alternatives to 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) in synthesis include similar chromenone derivatives or other chromone analogs. Common alternative reagents like acetyl chloride and hydroxymethyl compounds can be used as substitutes, offering similar functionalities in various chemical reactions.

What is the market or research trend for 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5)?

The market for 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) is trending towards increased research in its application as a potential pharmacological agent. Research focuses on its antimicrobial and anti-inflammatory properties. Market trends indicate growing interest in natural product chemistry and bioactivity screenings.

How should waste containing 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) be handled?

Waste containing 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one (CAS: 53696-74-5) should be collected in appropriate containers and stored separately. Incineration or professional waste disposal services are recommended for safe disposal. Environmental precautions include ensuring no release into the water supply and following local waste management regulations to prevent pollution.