5-Methyl-5-propyl-1,3-dioxan-2-one

Basic Information

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CAS Number

7148-50-7

Molecular Formula

C8H14O3

Molecular Weight

158.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

262.6°C at 760 mmHg

Density

1.004

Flash Point

114.9°C

Refractive Index

1.425

SMILES

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CCCC1(COC(=O)OC1)C

InChI

InChI=1S/C8H14O3/c1-3-4-8(2)5-10-7(9)11-6-8/h3-6H2,1-2H3

InChIKey

QPAWSFWKAUAJKW-UHFFFAOYSA-N

LogP

1.9596

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

143

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

5-Methyl-5-propyl-2-dioxanone
NSC 65885
MFCD00023865
AM20100675
5-Methyl-5-propyl-2-dioxanone (80%)
7148-50-7
1,3-Dioxan-2-one, 5-methyl-5-propyl-
Carbonic acid, cyclic 2-methyl-2-propyltrimethylene ester
FT-0671934
NSC65885
FT-0671933
FXX4CCT5JI
UNII-FXX4CCT5JI
DS-2165
5-Methyl-5-propyl-1,3-dioxan-2-one
NS00037215
QPAWSFWKAUAJKW-UHFFFAOYSA-N
Q27278276
CS-W016204
SCHEMBL47824
NSC-65885
1, 5-methyl-5-propyl-
DTXSID7064574
CARISOPRODOL IMPURITY B [EP IMPURITY]
EINECS 230-465-7
5-Methyl-5-propyl-2-dioxanone (80per cent)
5-Methyl-5-propyl-1,3-dioxan-2-one; Carisoprodol Imp. B (EP); Carisoprodol Impurity B
A866430
AKOS006271472
5-Methyl-5-propyl-2-
5-methyl-5-propyl-1,3-dioxan-2-one

MDL Number

MFCD00023865

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7)?

5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7) is a colorless to light yellow liquid. It has a molecular weight of approximately 150.23 g/mol. This compound is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. It is known for its low reactivity, making it stable under normal conditions, but it may undergo hydrolysis in the presence of strong acids or bases. It has a pKa of about 17, indicating it is a weak acid.

How is 5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7) typically synthesized?

5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7) can be synthesized via a Wittig reaction. The typical procedure involves reacting a methyl propionate with a phosphorus ylide, followed by protonation to form the dioxanone. This method provides good yield and selectivity, making it a common approach in the laboratory. The exact conditions and reagents can vary based on experimental requirements.

What industries use 5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7)?

5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drug molecules and as a monomer in the production of polymeric materials. Additionally, it has applications in the development of sensors and as a reagent in organic synthesis due to its unique chemical properties.

What precautions should be taken when handling 5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7)?

When handling 5-Methyl-5-propyl-1,3-dioxan-2-one (CAS: 7148-50-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It is advisable to work in a well-ventilated area or a fume hood to minimize inhalation. In case of spills, they should be cleaned up immediately using appropriate spill kits, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.