3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate

Basic Information

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CAS Number

597-71-7

Molecular Formula

C13H20O8

Molecular Weight

304.3 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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

80.0 to 83.0 deg-C

Boiling Point

325°C

Flash Point

160.5 °C

Refractive Index

1.5800 (estimate)

SMILES

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CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C

InChI

InChI=1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3

InChIKey

OUHCZCFQVONTOC-UHFFFAOYSA-N

LogP

0.2251999999999994

Topological Polar Surface Area

105.20000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

324

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Pentaerythritol tetraacetate
2,2-Bis(hydroxymethyl)-1,3-propanediol tetraacetate
Normosterol
Normo-level
PAG [Romanian]
TAPE
Pentaerythrityl Tetraacetate
Tetraacetyl pentestriol
Tetraacetil pentoetriol
Pentaerythritol, tetraacetate
Tetraacetil pentoetriol [Romanian]
C13H20O8
Pentaerythrityl tetracetate
2,2-Bis((acetyloxy)methyl)-1,3-propanediol diacetate
C4YXI01Z81
OUHCZCFQVONTOC-UHFFFAOYSA-N
T. A. P. E.
1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate
2,2-Bis(acetoxymethyl)pro
Pentaerythritol Tetraacetate

MDL Number

MFCD00026206

Customs Code

2918199090

FAQ

What are the physical and chemical properties of 3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7)?

3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7) is a crystalline solid with a molecular weight of approximately 392.4 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles and bases. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is 3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7) typically synthesized?

3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7) can be synthesized through a multi-step process involving the acetylation of a propyl acetoxy compound followed by a second acetylation step. The reaction typically requires the use of a dehydrating agent and a catalyst such as sulfuric acid. The yield is generally good, and the selectivity is high, making it suitable for various applications in organic chemistry.

What industries use 3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7)?

3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7) is used in various industries, including pharmaceuticals for its potential as a precursor in drug synthesis, and in polymers for its ability to enhance properties such as thermal stability. It is also utilized in sensor technology and semiconductor manufacturing due to its chemical reactivity and stability.

What precautions should be taken when handling 3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7)?

When handling 3-Acetoxy-2,2-bis(acetoxymethyl)propyl acetate (CAS: 597-71-7), it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a laboratory coat. The compound should be stored in a cool, dry place away from strong acids and bases. In case of a spill, it should be promptly cleaned up with appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).