4-Phenyl-1,3-dioxane

Basic Information

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CAS Number

772-00-9

Molecular Formula

C10H12O2

Molecular Weight

164.2 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

251°C

Density

1.111 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.53(lit.)

SMILES

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C1COCOC1C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2

InChIKey

RCJRILMVFLGCJY-UHFFFAOYSA-N

LogP

2.1220999999999997

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

130

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

Synonyms & References

English

FT-0690466
NSC-406730
NSC 406730
NS00042175
EINECS 212-244-7
4-Phenyl-1,3-dioxane
W-109603
AKOS015840560
772-00-9
MFCD00006568
AI3-05849
D91917
SCHEMBL302063
1,3-Dioxane, 4-phenyl-
4-Phenyl-m-dioxane
InChI=1/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H
NSC406730
DTXSID70870772
4-phenyl-[1,3]dioxane
P0166
FT-0619383
CS-0331099
m-Dioxane, 4-phenyl-
A839002
RCJRILMVFLGCJY-UHFFFAOYSA-N
4-phenyl-1,3-dioxane
4-Pheny-1,3-dioxane
4-Phenyl-1,3-dioxan
4-phenyl-3-dioxane
4-PHENYL-M-DIOXANE
Formaldehyde 1-phenyltrimethylene acetal

MDL Number

MFCD00006568

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Phenyl-1,3-dioxane (CAS: 772-00-9)?

4-Phenyl-1,3-dioxane (CAS: 772-00-9) has a crystalline form at room temperature. Its molecular weight is approximately 138.16 g/mol. It is moderately soluble in water but highly soluble in organic solvents. Chemically, it is relatively stable but can undergo ring-opening reactions under certain conditions. It is often used as a solvent in various applications.

How is 4-Phenyl-1,3-dioxane (CAS: 772-00-9) typically synthesized?

4-Phenyl-1,3-dioxane (CAS: 772-00-9) is typically synthesized via the Wittig reaction, where phenyl methyl ketone reacts with phosphorustriphenylmethyl to form the target compound. This method provides good selectivity and yield, though the reaction conditions must be carefully controlled to avoid side reactions.

What industries use 4-Phenyl-1,3-dioxane (CAS: 772-00-9)?

4-Phenyl-1,3-dioxane (CAS: 772-00-9) is primarily used in the pharmaceutical and polymer industries. It serves as a solvent in the synthesis of certain drugs and is also used in the production of polyurethane and other polymers. Additionally, it finds applications in sensors and as a reagent in organic chemistry.

What precautions should be taken when handling 4-Phenyl-1,3-dioxane (CAS: 772-00-9)?

When handling 4-Phenyl-1,3-dioxane (CAS: 772-00-9), ensure proper personal protective equipment (PPE) is used, including gloves and safety goggles. Store in a well-ventilated area and use in a fume hood to minimize inhalation risk. In case of a spill, immediately clean up using appropriate absorbents and follow safety data sheet (SDS) guidelines for disposal. Always refer to the SDS for specific handling instructions.