2-Phenyl-1,3-dioxolane

Basic Information

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CAS Number

936-51-6

Molecular Formula

C9H10O2

Molecular Weight

150.18 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

Boiling Point

80 °C0.3 mm Hg

Density

1.106 g/mL at 25 °C

Flash Point

209 °F

Refractive Index

n20/D 1.526(lit.)

SMILES

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C1COC(O1)C2=CC=CC=C2

InChI

InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2

InChIKey

LYINTWKRUWVLBA-UHFFFAOYSA-N

LogP

1.732

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

113

Synonyms & References

English

AKOS009144561
1,3-Dioxolane,2-phenyl-
936-51-6
NSC 97528
InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H
EINECS 213-315-5
1,3-Dioxolane, 2-phenyl-
2-Phenyl-1,3-dioxolane, 99%
2-Phenyl-1,3-dioxolan
SCHEMBL366283
2-Phenyl-1,3-dioxolane
DTXSID00239479
NSC97528
CS-0069678
FT-0691832
Benzaldehyde ethylene acetal
2-phenyl-[1,3]dioxolane
GS-5568
NSC-97528
H10024
NS00041881
MFCD00030564
2-PHENYL-1,3-DIOXOLANE
1,3-Dioxolane,2-phenyl
benzaldehyde dimethyl acetal
benzaldehyde dioxolane acetal
benzaldehyde ethane-1,2-diol acetal
benzaldehyde ethylene glycol acetal
benzaldehyde glycol acetal
PhCH(OCH2CH2O)

MDL Number

MFCD00030564

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2-Phenyl-1,3-dioxolane (CAS: 936-51-6)?

2-Phenyl-1,3-dioxolane (CAS: 936-51-6) is a colorless liquid with a molecular weight of approximately 132.18 g/mol. It has a pKₐ of around 14.3, indicating weak basicity. The compound is poorly soluble in water but soluble in organic solvents such as ethanol, acetone, and chloroform. Chemically, it is moderately reactive, especially under basic conditions, and can undergo ring-opening reactions with nucleophiles.

How is 2-Phenyl-1,3-dioxolane (CAS: 936-51-6) typically synthesized?

2-Phenyl-1,3-dioxolane (CAS: 936-51-6) is typically synthesized via the condensation of phenylacetaldehyde and dimethyl sulfoxide (DMSO) in the presence of a basic catalyst such as potassium carbonate. The reaction is carried out at room temperature or slightly elevated temperatures, and the yield is generally high, around 85-95%. Other methods include the reaction of phenylacetic acid with dimethyl sulfoxide under similar conditions.

What industries use 2-Phenyl-1,3-dioxolane (CAS: 936-51-6)?

2-Phenyl-1,3-dioxolane (CAS: 936-51-6) 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, particularly in the synthesis of polycarbonates and polyesters, and in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2-Phenyl-1,3-dioxolane (CAS: 936-51-6)?

When handling 2-Phenyl-1,3-dioxolane (CAS: 936-51-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up using an appropriate absorbent material, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.