5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Basic Information

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CAS Number

85920-63-4

Molecular Formula

C8H10O5

Molecular Weight

186.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Yellow powder

Density

1.303

SMILES

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CC(O)=C1C(=O)OC(C)(C)OC1=O

InChI

InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h9H,1-3H3

InChIKey

WIIDJHLROTYVRD-UHFFFAOYSA-N

LogP

0.6544999999999999

Topological Polar Surface Area

72.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

278

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Acetyl Meldrum's acid
5-(1-Hydroxyethylidene)-2
AK103046
BDBM50088043
3394AC
FCH3491885
AX8234585
ST24044160
920H634
2-(1-Hydroxyethylidene)malonic acid isopropylidene ester

MDL Number

MFCD18072503

FAQ

What are the physical and chemical properties of 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS: 85920-63-4)?

5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is a white crystalline solid with a molecular weight of approximately 268.29 g/mol. It is moderately soluble in water and ethanol but has low solubility in most organic solvents. It exhibits low reactivity under normal conditions, but can undergo hydrolysis under basic conditions. Its melting point is around 160-162°C.

How is 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS: 85920-63-4) typically synthesized?

5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione can be synthesized through the condensation of acetaldehyde and acetone followed by ring closure. The reaction is typically catalyzed by acids, yielding a pure product with a yield of around 75-80%. The product can also be obtained via the hydrolysis of 2,2-dimethyl-1,3-dioxane-4,6-dione with acetaldehyde.

What industries use 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS: 85920-63-4)?

5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also utilized in the production of polymers and as a component in sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS: 85920-63-4)?

Proper handling of 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. It should be stored in a cool, dry place away from heat and direct sunlight. In case of a spill, use appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and handling recommendations.