Isopropyl benzoate(CAS: 939-48-0)

CAS Number
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Basic Information
Molecular Formula
C10H12O2
Molecular Weight
164.2 g/mol
Physical Properties
Melting Point
-26°C(lit.)
Boiling Point
218°C
Density
1.021±0.06 g/cm3 (20 ºC 760 Torr),
Flash Point
93.0±6.0 ºC,
Chemical Identifiers
SMILES
CC(C)OC(=O)C1=CC=CC=C1
InChIKey
FEXQDZTYJVXMOS-UHFFFAOYSA-N
Database References
MDL Number
MFCD00048289
FAQ
Isopropyl benzoate (CAS: 939-48-0) is a colorless, clear liquid with a sweet, aromatic odor. It has a molecular weight of approximately 150.21 g/mol and a melting point of -21.2°C. The compound is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. It is generally stable under normal conditions but may degrade under basic or strongly acidic conditions. It is non-flammable and non-toxic in its pure form.
Isopropyl benzoate can be synthesized through the esterification of benzoic acid with isopropanol in the presence of an acid catalyst, such as sulfuric acid. The reaction is conducted at elevated temperatures, typically around 100°C, with a yield of about 85-90%. The reaction is exothermic and requires careful monitoring to prevent decomposition. The product is purified by distillation to remove unreacted starting materials and impurities.
Isopropyl benzoate (CAS: 939-48-0) is widely used in the fragrance and flavor industry as a flavoring agent. It is also utilized in the pharmaceutical industry as a solvent and in the formulation of certain topical medications. In the polymer industry, it serves as an internal plasticizer for polyvinyl chloride (PVC). Additionally, it can be found in the production of some adhesives and in the preparation of certain analytical reagents.
When handling isopropyl benzoate (CAS: 939-48-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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