Tert-butyl 4-acetylbenzoate

Basic Information

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CAS Number

105580-41-4

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

InChI

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

InChIKey

QXQXBZLXIAUIBG-UHFFFAOYSA-N

LogP

2.844500000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

267

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-Butyl 4-acetylbenzoate
4-ACETYL-BENZOIC ACID TERT-BUTYL ESTER
4-(t-butoxycarbonyl)acetophenone
4-acetylbenzoic acid tert-butyl ester
AGN-PC-00O78K
AK123118
CTK8D3656
KB-260684
SureCN4517212
t-butyl 4-acetylbenzoate
QXQXBZLXIAUIBG-UHFFFAOYSA-N
1259AA
ST2413911
AX8247296
A25999
Benzoic acid, 4-acetyl-, 1,1-dimethylethyl ester
DS-2865
tert-Butyl4-acetylbenzoate
4-Acetyl-benzoic acid tert-butyl ester
AKOS015890896
MFCD17676586
DB-059371
SY114265
CS-W023005
tert-butyl 4-acetylbenzoate
DTXSID60551129
SCHEMBL4517212
105580-41-4

MDL Number

MFCD17676586

FAQ

What is Tert-butyl 4-acetylbenzoate (CAS: 105580-41-4)?

Tert-butyl 4-acetylbenzoate is a chemical compound with the CAS number 105580-41-4. It is a colorless or slightly yellow liquid with a distinctive odor. This compound is used in various applications such as pharmaceuticals, research, and as a chemical intermediate.

What are the main uses of Tert-butyl 4-acetylbenzoate (CAS: 105580-41-4)?

Tert-butyl 4-acetylbenzoate is primarily used as a chemical intermediate in the production of pharmaceuticals and other organic compounds. It is also utilized in research for synthesizing other compounds and in the food industry as a flavoring agent.

Is Tert-butyl 4-acetylbenzoate (CAS: 105580-41-4) safe?

Tert-butyl 4-acetylbenzoate is generally considered safe when handled properly. However, it should be used with caution as it may cause skin irritation and should be stored in a cool, dry place away from direct sunlight. Protective gloves and goggles should be worn during handling.

How should Tert-butyl 4-acetylbenzoate (CAS: 105580-41-4) be stored?

Tert-butyl 4-acetylbenzoate should be stored in a cool, dark place with a temperature not exceeding 25°C, and at a relative humidity below 75%. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid exposure to light and heat.