Ethyl 2-acetylbenzoate

Basic Information

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CAS Number

103935-10-0

Molecular Formula

C11H12O3

Molecular Weight

192.21 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

Boiling Point

97-99°C 0,3mm

SMILES

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CCOC(=O)C1=CC=CC=C1C(=O)C

InChI

InChI=1S/C11H12O3/c1-3-14-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3

InChIKey

YCJSSCAQCRQQJT-UHFFFAOYSA-N

LogP

2.0659

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

223

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6F-954
Benzoic acid,2-acetyl-,ethyl ester
CS-W022649
ethyl 2-acetylbenzoate
Ethyl 2-acetylbenzenecarboxylate
AKOS005070770
Benzoic acid, 2-acetyl-, ethyl ester
J-520683
FT-0642548
ETHYL2-ACETYLBENZENECARBOXYLATE
SCHEMBL3945626
MFCD00173696
DTXSID00384094
2-acetyl-benzoic acid ethyl ester
103935-10-0
Ethyl 2-Ethanoylbenzoate
Ethyl 2-acetylbenzoate
Benzoic acid,2-acetyl-, ethyl ester
2-Acetyl-benzoesaeure-aethylester
Acetophenon-carbonsaeure-(2)-aethylester
ethyl o-acetylbenzoate
ethylacetylbenzenecarboxylate
o-Acetylbenzoesaeureaethylester
Ethyl 2-ethanoylbenzoate, 2'-(Ethoxycarbonyl)acetophenone

MDL Number

MFCD00173696

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 2-acetylbenzoate (CAS: 103935-10-0)?

Ethyl 2-acetylbenzoate (CAS: 103935-10-0) is a crystalline compound with a molecular weight of approximately 214.25 g/mol. It is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive compared to similar esters, showing limited reactivity towards nucleophiles and acids.

How is Ethyl 2-acetylbenzoate (CAS: 103935-10-0) typically synthesized?

Ethyl 2-acetylbenzoate is typically synthesized via an esterification reaction where acetic anhydride reacts with benzoic acid in the presence of an acid catalyst like sulfuric acid. The process involves heating and yields a high percentage of the desired product with good selectivity and yield.

What industries use Ethyl 2-acetylbenzoate (CAS: 103935-10-0)?

Ethyl 2-acetylbenzoate (CAS: 103935-10-0) is utilized in the pharmaceutical industry for its analgesic and anti-inflammatory properties. It is also employed in the polymer industry for enhancing the properties of plastic materials. Additionally, it finds applications in the fragrance industry as a flavoring agent and in the sensor industry for detecting specific chemicals.

What precautions should be taken when handling Ethyl 2-acetylbenzoate (CAS: 103935-10-0)?

Handling Ethyl 2-acetylbenzoate requires appropriate personal protective equipment (PPE) such as gloves and goggles. It should be handled in a well-ventilated area or within a fume hood due to its volatility. Proper disposal and spill control should be followed, and safety data sheets (SDS) should always be consulted for specific handling instructions.