1,2,3-Propanetriyl tribenzoate

Basic Information

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CAS Number

614-33-5

Molecular Formula

C24H20O6

Molecular Weight

404.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

68-72 °C

Boiling Point

486.04°C (rough estimate)

Density

1.2280

Flash Point

238.1±21.0 °C

Refractive Index

1.5200 (estimate)

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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c1ccc(cc1)C(=O)OCC(COC(=O)c2ccccc2)OC(=O)c3ccccc3

InChI

InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2

InChIKey

HIZCTWCPHWUPFU-UHFFFAOYSA-N

LogP

3.926000000000003

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

522

Synonyms & References

English

glyceryl tribenzoate
glycerol tribenzoate
2,3-dibenzoyloxypropyl benzoate
TRIBENZOIN
1,2,3-PROPANETRIOL,TRIBENZOATE
1,2,3-tri-O-benzoylglycerol
1,2,3-Tris-benzoyloxy-propan
1,2,3-tris-benzoyloxy-propane
EINECS 210-379-6
FEMA No. 3398
Glycerintribenzoat
tri-O-benzoyl-glycerol
Silicon dioxide

MDL Number

MFCD00020677

FAQ

What are the physical and chemical properties of 1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5)?

1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 316.2 g/mol. It is soluble in organic solvents like acetone and toluene but slightly soluble in water. The compound is chemically stable but can react with strong bases. It has a pKa value of around 5, indicating a weak acid character.

How is 1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5) typically synthesized?

1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5) is typically synthesized via an esterification reaction between benzoic acid and 1,2,3-propanetriol (glycerol). Common catalysts include sulfuric acid or phosphoric acid, and the reaction involves the stepwise substitution of hydroxyl groups in glycerol with benzoic acid moieties. The yield can be improved by using a suitable catalyst and optimizing reaction conditions.

What industries use 1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5)?

1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5) is used in various industries. It is a key component in the production of pharmaceuticals, where it acts as a stabilizer or plasticizer. It is also used in polymer formulations to improve the flexibility and processing properties of the polymers. Additionally, it is utilized in the electronics industry as a component in certain types of sensors and semiconductors.

What precautions should be taken when handling 1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5)?

When handling 1,2,3-Propanetriyl tribenzoate (CAS: 614-33-5), appropriate personal protective equipment (PPE) should be used, including gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, they should be cleaned up carefully using absorbent material and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage conditions.