2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Basic Information

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CAS Number

68527-76-4

Molecular Formula

C12H16O4

Molecular Weight

224.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

40-43°C

Boiling Point

346.4 °C at 760 mmHg

Density

1.156

Flash Point

346.4 °C at 760 mmHg

Refractive Index

1.5323

SMILES

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CCOc1cc(ccc1O)C1OCC(O1)C

InChI

InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3

InChIKey

IFUIILQWHYHIEK-UHFFFAOYSA-N

LogP

2.2248

Topological Polar Surface Area

47.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

221

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

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
ETHYL VANILLIN PROPYLENE GLYCOL ACETAL
Ethyl Vanillin Propylene Glycol Acetal(contain isomer)

MDL Number

MFCD00036667

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS: 68527-76-4)?

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is a crystalline compound with a molecular weight of approximately 250.35 g/mol. It has a solubility of about 3.5 g/100 mL in water and is slightly soluble in common organic solvents. It is moderately reactive towards acidic and basic conditions. The compound exhibits good stability under normal storage conditions but should be protected from strong oxidizing agents.

How is 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS: 68527-76-4) typically synthesized?

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is synthesized via the reaction of 4-hydroxy-2-methyl-1,3-dioxolan-2-yl phenol with ethyl bromide in the presence of a base such as sodium hydroxide. The reaction proceeds through an elimination mechanism followed by an SN2 substitution. The yield is typically around 75-85%, and the reaction is performed in an aprotic solvent like THF at room temperature.

What industries use 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS: 68527-76-4)?

2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is utilized in various industries including pharmaceuticals, where it serves as a precursor to medicinal compounds. It also finds applications in the polymer industry for modifying properties of plastics. Additionally, it is used in the production of sensors and in semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS: 68527-76-4)?

When handling 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and laboratory coats. It should be stored in a fume hood or well-ventilated area to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.