3-Acetylphenyl acetate

Basic Information

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CAS Number

2454-35-5

Molecular Formula

C10H10O3

Molecular Weight

178.19 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

Basic Physical Properties

Melting Point

44.0 to 48.0 deg-C

Boiling Point

147°C/9mmHg

Density

1.123

Flash Point

126.5°C

Refractive Index

1.512

SMILES

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

InChI

InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3

InChIKey

OTHYPAMNTUGKDK-UHFFFAOYSA-N

LogP

1.8145

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

210

Synonyms & References

English

MFCD00017227
DTXSID20179287
NSC-174054
NSC174054
SB36151
(3-acetylphenyl) acetate
1-(3-(ACETYLOXY)PHENYL)ETHANONE
3-acetylphenyl acetate
HYOSCYAMINESULFATE
Ethanone, 1-(3-(acetyloxy)phenyl)-
AMY21812
OTHYPAMNTUGKDK-UHFFFAOYSA-N
FT-0634294
SY051095
3'-Acetoxyacetophenone
HY-W016620
Acetic acid 3-acetyl-phenyl ester
2454-35-5
Ethanone, 1-[3-(acetyloxy)phenyl]-
EINECS 219-524-8
NSC 174054
m-Acetylphenyl acetate
3-Acetylphenyl acetate, AldrichCPR
AKOS006228157
A817355
3 inverted exclamation mark -Acetoxyacetophenone
NS00027687
AS-61795
SCHEMBL3141164
ACETOPHENONE, 3'-HYDROXY-, ACETATE
D78331

MDL Number

MFCD00017227

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 3-Acetylphenyl acetate (CAS: 2454-35-5)?

3-Acetylphenyl acetate (CAS: 2454-35-5) is a crystalline compound with a molecular weight of approximately 214.24 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity, particularly in ester substitution reactions. It is often used as a precursor in organic synthesis due to its functional groups.

How is 3-Acetylphenyl acetate (CAS: 2454-35-5) typically synthesized?

3-Acetylphenyl acetate (CAS: 2454-35-5) is typically synthesized through the esterification reaction between phenylacetic acid and acetyl chloride in the presence of a catalyst like sulfuric acid. The reaction yields a high purity product with good selectivity and a high yield. The process is carried out under mild conditions to avoid degradation of the product.

What industries use 3-Acetylphenyl acetate (CAS: 2454-35-5)?

3-Acetylphenyl acetate (CAS: 2454-35-5) is primarily used in the pharmaceutical and fine chemical industries as a starting material for the synthesis of dyes and pigments. It is also utilized in the polymer industry for modifying properties of polymers. Additionally, it finds applications in the sensor and semiconductor industries due to its functional groups.

What precautions should be taken when handling 3-Acetylphenyl acetate (CAS: 2454-35-5)?

When handling 3-Acetylphenyl acetate (CAS: 2454-35-5), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials, and proper safety data sheets (SDS) should be consulted for emergency procedures and disposal instructions.