2,2-Bis[(benzoyloxy)methyl]butyl benzoate

Basic Information

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CAS Number

54547-34-1

Molecular Formula

C27H26O6

Molecular Weight

446.5 g/mol

EINECS

927-700-7

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

Boiling Point

580.7°C at 760 mmHg

Density

1.192

Flash Point

248.3°C

Refractive Index

1.575

SMILES

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O=C(OCC(CC)(COC(=O)c1ccccc1)COC(=O)c2ccccc2)c3ccccc3

InChI

InChI=1S/C27H26O6/c1-2-27(18-31-24(28)21-12-6-3-7-13-21,19-32-25(29)22-14-8-4-9-15-22)20-33-26(30)23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3

InChIKey

OWVAEQAOZDETGQ-UHFFFAOYSA-N

LogP

4.953800000000005

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Synonyms & References

English

trimethylolpropane tribenzoate
2-((benzoyloxy)methyl)-2-ethylpropane-1,3-diyl dibenzoate
benzoic acid,2-ethyl-2-(hydroxymethyl)propane-1,3-diol
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-ethyl-, 1,3-dibenzoate
2-((Benzoyloxy)methyl)-2-ethylpropane-1,3-diyl dibenzoate

MDL Number

MFCD00152936

EC Number

927-700-7

Customs Code

2916399090

FAQ

What is 2,2-Bis[(benzoyloxy)methyl]butyl benzoate (CAS: 54547-34-1)?

2,2-Bis[(benzoyloxy)methyl]butyl benzoate is a chemical compound with the CAS number 54547-34-1. It is a lipid-soluble compound with a molecular formula of C24H34O6. This compound is known for its stability and is used in various applications such as pharmaceuticals and cosmetics.

What are the main uses of 2,2-Bis[(benzoyloxy)methyl]butyl benzoate (CAS: 54547-34-1)?

2,2-Bis[(benzoyloxy)methyl]butyl benzoate is primarily used in the pharmaceutical industry as a stabilizer and preservative. It is also used in cosmetics for its emollient and skin care properties. Additionally, it is utilized in the food industry as a flavor enhancer and in research for its chemical stability.

Is 2,2-Bis[(benzoyloxy)methyl]butyl benzoate (CAS: 54547-34-1) safe?

2,2-Bis[(benzoyloxy)methyl]butyl benzoate is considered safe for use in pharmaceuticals and cosmetics when used according to the recommended guidelines. It is important to follow safety precautions, such as proper handling and storage, and to avoid contact with eyes and skin. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

How should 2,2-Bis[(benzoyloxy)methyl]butyl benzoate (CAS: 54547-34-1) be stored?

2,2-Bis[(benzoyloxy)methyl]butyl benzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The container should be stored in a well-ventilated area and should not be exposed to excessive humidity or temperature fluctuations. Avoid storing it with incompatible substances to ensure safety and stability.