Benzene-1,2,4-triyl triacetate

Basic Information

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CAS Number

613-03-6

Molecular Formula

C12H12O6

Molecular Weight

252.22 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

95.0 to 98.0 deg-C

Boiling Point

357℃ at 760 mmHg

Density

1.3694 (rough estimate)

Flash Point

157.9±25.2 °C

Refractive Index

1.5080 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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CC(=O)Oc1ccc(OC(=O)C)c(OC(=O)C)c1

InChI

InChI=1S/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3

InChIKey

AESFGSJWSUZRGW-UHFFFAOYSA-N

LogP

1.4625

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

338

Safety Information

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Hazard Statement

Synonyms & References

English

Benzene-1,2,4-triyl triacetate
1,2,4-Phenenyl triacetate
1,2,4-Triacetoxybenzene
(3,4-diacetyloxyphenyl) acetate
Hydroxyhydroquinone triacetate
Pyrogallol A
2-Hydroxyhydroquinone triacetate
1,2,4-Benzenetriol, triacetate
1,2,4-Benzenetriacetate
Triacetate d'hydroxyhydroquinone
2,4-Bis(acetyloxy)phenyl acetate
1,2,4-Tri-acetoxybenzene
Triacetate d'hydroxyhydroquinone [French]
1,2,4-Benzenetriol triacetate
AESFGSJWSUZRGW-UHFFFAOYSA-N
903T7H7CP1
1,2,4-Benzenetriol, 1,2,4

MDL Number

MFCD00008700

Customs Code

2915390090

FAQ

What are the physical and chemical properties of Benzene-1,2,4-triyl triacetate (CAS: 613-03-6)?

Benzene-1,2,4-triyl triacetate (CAS: 613-03-6) is a crystalline compound with a molecular weight of approximately 312.33 g/mol. It has a low solubility in water but is soluble in common organic solvents. Chemically, it is highly reactive towards nucleophiles and exhibits ester group chemistry. This compound is known for its stability under normal conditions but should be handled with care due to its chemical reactivity.

How is Benzene-1,2,4-triyl triacetate (CAS: 613-03-6) typically synthesized?

Benzene-1,2,4-triyl triacetate (CAS: 613-03-6) is typically synthesized through the acetylation of 1,2,4-benzenetriol. The reaction involves the use of acetic anhydride or acetyl chloride in the presence of a catalyst like concentrated sulfuric acid. The yield is usually high, and the product is purified by recrystallization from organic solvents.

What industries use Benzene-1,2,4-triyl triacetate (CAS: 613-03-6)?

Benzene-1,2,4-triyl triacetate (CAS: 613-03-6) is used in various industries, particularly in the production of pharmaceuticals, where it serves as a precursor for certain medications. It is also utilized in the synthesis of polymers and in the development of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling Benzene-1,2,4-triyl triacetate (CAS: 613-03-6)?

When handling Benzene-1,2,4-triyl triacetate (CAS: 613-03-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate materials, and the Material Safety Data Sheet (MSDS) should be consulted for detailed guidelines. Storage should be in a cool, dry place away from direct sunlight and incompatible materials.