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4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol)(CAS: 76-61-9)

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol)
CAS Number

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Basic Information

Molecular Formula
C27H30O5S
Molecular Weight
466.6 g/mol

Physical Properties

Melting Point
221-224 °C (dec.) (lit.)
Boiling Point
539.4°C (rough estimate)
Density
1.1413 (rough estimate)
Flash Point
36 °C
Water Solubility
Soluble in alcohol and dilute alkali solutions. Insoluble in water.

Chemical Identifiers

SMILES
CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
InChIKey
PRZSXZWFJHEZBJ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00005869
Beilstein Registry Number
0368036

FAQ

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol), with CAS number 76-61-9, is a bisphenol compound containing a benzoxathiole ring. It is known for its antioxidant properties and is often used in chemical synthesis. The compound is typically a solid at room temperature and has a complex molecular structure with multiple functional groups.
This compound is primarily used in pharmaceutical research as a potential antioxidant and anti-inflammatory agent. It also finds applications in the synthesis of other organic compounds and as a raw material in industrial chemical processes. Due to its chemical versatility, it may be used in research settings for developing new drugs or materials.
The safety of 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol) depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, standard safety precautions such as using personal protective equipment and ensuring good ventilation should be followed. Safety data sheets (SDS) should be consulted for detailed handling guidelines.
This compound should be stored in a cool, dry, and dark place, away from moisture and direct light. It is recommended to keep it in a sealed container at a temperature below 25°C. Proper storage conditions help maintain its chemical stability and prevent degradation. Avoid exposure to air and ensure storage in a well-ventilated area.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures