Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate

Basic Information

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CAS Number

4418-26-2

Molecular Formula

C8H7NaO4

Molecular Weight

190.13 g/mol

EINECS

224-580-1

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 (dec.)

Boiling Point

332.6°C at 760 mmHg

Density

1.499[at 20℃]

Water Solubility

Soluble in water, propylene glycol and methanol. Insoluble in acetone and benzene.

Flash Point

150.6°C

Solubility

330g/l

Vapor Pressure

0Pa at 25℃

SMILES

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

InChI

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

InChIKey

DSOWAKKSGYUMTF-UHFFFAOYSA-M

LogP

-4.38 at 20℃

pKa

5.36[at 20 ℃]

Complexity

309

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

稳定的。与强氧化剂不相容。

Auto-ignition Temperature

360 °C

Toxicity

LD50 orally in Rabbit: 500 mg/kg

Synonyms & References

English

Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate
SODIUM 3-ACETYL-4-HYDROXY-6-METHYL-2-OXO-4(2H)-PYRANOLATE
SODIUM DEHYDROACETATE
2H-Pyran-2,4(3H)-dione,3-acetyl-6-methyl-,ion(1-),sodium
3-(1-hydroxyethylidene)-6-methyl-2h-pyran-2,4(3h)-dione,sodiumsalt[qr]
4(3h)-dione,3-acetyl-6-methyl-2h-pyran-sodiumsalt
4(3h)-dione,3-acetyl-6-methyl-2h-pyran-sodiumsalt[qr]
4-hexenoicacid,2-acetyl-5-hydroxy-3-oxo,delta-lactone,sodiumderiv.
Sodium dehydroacetate
2-ACETYL-5-HYDROXY-3-OXO-4-HEXENOIC ACID DELTA-LACTONE SODIUM SALT
2-ACETYL-5-HYDROXY-3-OXO-4-HEXENOIC ACID GAMMA-LACTONE SODIUM SALT
3-(1-hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione sodium salt
3-ACETYL-4-HYDROXY-6-METHYL-2-PYRONE SODIUM SALT
3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONE SODIUM SALT
acetyl-6-methyl-2h-pyran-2,4(3h)-dione sodium
DEHYDROACETIC ACID SODIUM SALT
dehydroacetic
dehydroaceticacid,sodiumsalt[qr]
dha-sodium
dhn
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone sodium salt
harven
NaDHA
New Side S 01
prevan
Sodium dehydroacetat
Sodium Dehydroacetic Acid
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

MDL Number

MFCD00040583

EC Number

224-580-1

Customs Code

29322980

FAQ

What is Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2)?

Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) is a sodium salt compound with the chemical formula C8H10NaO5. It features a pyran ring structure with a methyl group and two carbonyl groups, making it a versatile intermediate in organic chemistry. The compound is typically a white crystalline solid and exhibits solubility in polar solvents, with applications in pharmaceutical and research settings.

What are the main uses of Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2)?

Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) is primarily used in pharmaceutical research for synthesizing bioactive compounds and as a precursor in drug development. It also finds applications in organic synthesis, polymer chemistry, and as a stabilizer in certain chemical processes. Its unique structure makes it valuable for creating derivatives with medicinal or industrial relevance.

Is Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) safe?

Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) is generally considered safe when handled properly. However, it may cause skin or eye irritation, so protective gloves, goggles, and ventilation are recommended. Safety standards emphasize avoiding direct contact and inhalation, with adherence to OSHA and EPA guidelines for chemical handling and disposal.

How should Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) be stored?

Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate (CAS: 4418-26-2) should be stored in a cool, dry place, away from light and moisture. It is best kept in airtight, desiccated containers to maintain stability. Avoid exposure to incompatible substances, and ensure storage conditions comply with standard chemical safety protocols for long-term preservation.