Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

Basic Information

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CAS Number

82962-54-7

Molecular Formula

C9H16O4

Molecular Weight

188.22 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

Boiling Point

75 ºC (0.4 Torr)

Density

1.039±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

85.0±23.2 ºC,

SMILES

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CCOC(=O)C1COC(OC1)(C)C

InChI

InChI=1S/C9H16O4/c1-4-11-8(10)7-5-12-9(2,3)13-6-7/h7H,4-6H2,1-3H3

InChIKey

MYGMWHATZAFUIU-UHFFFAOYSA-N

LogP

0.9485999999999999

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate
2,2-DIMETHYL-5-CARBETHOXY-1,3-DIOXANE
2,2-diMethyl-5-ethoxycarbonyl-1,3-dioxane
2,2-Dimethyl-[1,3]dioxane-5-carboxylic acid ethyl ester
ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

MDL Number

MFCD11975772

FAQ

What are the physical and chemical properties of Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (CAS: 82962-54-7)?

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate is a colorless to white crystalline solid with a molecular weight of approximately 194.23 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity, particularly in esterification reactions.

How is Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (CAS: 82962-54-7) typically synthesized?

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate is typically synthesized by the esterification of 2,2-dimethyl-1,3-dioxane-5-carboxylic acid with ethanol. This process can be catalyzed by a strong acid like sulfuric acid, and the reaction yields a high selectivity and good yield.

What industries use Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (CAS: 82962-54-7)?

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry to modify the properties of polymers. Additionally, it has applications in the production of sensors and semiconductors.

What precautions should be taken when handling Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (CAS: 82962-54-7)?

When handling Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate, it is important to use personal protective equipment such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood. Spills should be promptly cleaned up with appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.