Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (1:1:1)

Basic Information

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CAS Number

64039-28-7

Molecular Formula

C8H9NaO5

Molecular Weight

208.14 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

Basic Physical Properties

Melting Point

295°C

Boiling Point

352.8 °C at 760 mmHg

Water Solubility

almost transparency

Flash Point

31.11℃

SMILES

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CC1=CC(=O)[C-](C(=O)O1)C(=O)C.O.[Na+]

InChI

InChI=1S/C8H8O4.Na.H2O/c1-4-3-6(10)7(5(2)9)8(11)12-4;;/h3,10H,1-2H3;;1H2/q;+1;/p-1

InChIKey

XBTXRILZQWUAPE-UHFFFAOYSA-M

LogP

1.23030

Complexity

309

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2H-Pyran-2,4(3H)-dione,3-acetyl-6-methyl-, ion(1-), sodium, monohydrate (9CI)
Sodium Dehydroacetate Monohydrate
Dehydroacetic acid sodium salt
Dehydroacetic acid sodium salt monohydrate
sodium,3-acetyl-6-methylpyran-3-ide-2,4-dione,hydrate
3-Acetyl-4-hydroxy-6-methyl-2-pyrone Sodium Salt Monohydrate
Sodium 3-Acetyl-4-hydroxy-6-methyl-2-oxo-4(2H)-pyranolate Monohydrate
Dehydroacetic acid sodium salt, >=98.0% (NT)
418H262
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid I -lactone sodium salt
Sodium Dehydroacetic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
3-Acetyl-4-hydroxy-6-methylpyran-2-one;sodium
Dehydroacetic Acid Sodium Salt Monohydrate

MDL Number

MFCD01694098

FAQ

What is Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7)?

Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) is an organic compound with the molecular formula C9H10NaO4·H2O. It is a white crystalline solid with a characteristic odor and is soluble in water.

What are the main uses of Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7)?

Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) is primarily used as a reagent in organic synthesis, particularly in the preparation of other compounds. It also has applications in pharmaceuticals and as a spectroscopic reference.

Is Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) safe?

Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) is generally considered safe under normal handling conditions. However, it should be stored in a cool, dry place away from direct sunlight and other sources of heat. Protective gloves and eyewear are recommended when handling the compound to avoid skin contact and eye irritation.

How should Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) be stored?

Sodium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate hydrate (CAS: 64039-28-7) should be stored in a well-ventilated, cool, and dry environment. It should be kept away from direct sunlight and heat sources. The compound should be stored in a tightly sealed container to prevent moisture absorption and degradation. It is also important to keep it away from flammable materials and oxidizing agents.