Tert-butyl 3-acetylbenzoate

Basic Information

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CAS Number

317829-73-5

Molecular Formula

C13H16O3

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

SMILES

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CC(=O)C1=CC(=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3

InChIKey

YESSMNWGVXXGJB-UHFFFAOYSA-N

LogP

2.844500000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

275

Synonyms & References

English

tert-butyl 3-acetylbenzoate
A8J
CS-D0424
tert-butyl 3-ethanoylbenzoate
YESSMNWGVXXGJB-UHFFFAOYSA-N
MFCD17676592
DB-371874
DTXSID00677418
317829-73-5
SCHEMBL13026720
Tert-butyl (3-acetyl)benzoate
AKOS015890916
AS-39925
tert-butyl3-acetylbenzoate
A898325

MDL Number

MFCD17676592

FAQ

What is Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5)?

Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) is an ester compound characterized by its specific substituents. It is a colorless or slightly yellow liquid with a distinctive aromatic odor. This compound is primarily used in pharmaceuticals, as a starting material in organic synthesis, and as a fragrance ingredient in cosmetics.

What are the main uses of Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5)?

Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) is widely used as a precursor in the synthesis of other chemicals, in the pharmaceutical industry for intermediate steps, and as a fragrance in cosmetics. It also serves as a stabilizer in certain applications.

Is Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) safe?

Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) is generally considered safe for its intended applications. However, it is important to follow safety guidelines, including proper ventilation and protective equipment, to minimize the risk of exposure. Direct contact with eyes or ingestion should be avoided.

How should Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) be stored?

Tert-butyl 3-acetylbenzoate (CAS: 317829-73-5) 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 contamination and degradation. Storage at temperatures below 25°C is recommended to ensure stability.