4-Acetylphenyl acetate

Basic Information

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CAS Number

13031-43-1

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

52.0 to 56.0 deg-C

Boiling Point

170°C/19mmHg

Water Solubility

Slightly soluble in water(4450 mg/L).

Flash Point

165-170°C/14mm

Refractive Index

1.5370 (estimate)

SMILES

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

InChI

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

InChIKey

SMIOEQSLJNNKQF-UHFFFAOYSA-N

LogP

1.8145

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

202

Synonyms & References

English

EN300-331508
NSC 41974
CHEBI:86558
NSC-41974
DTXSID9044534
AI3-10544
CS-0065541
4 inverted exclamation mark -Acetoxyacetophenone
AKOS000268633
(4-acetylphenyl) acetate
CAS-13031-43-1
J-005787
EO1XK390JF
AM84255
A806065
4-Acetylphenyl acetate
MFCD00017229
4-(ACETATE)ACETOPHENONE
1-[4-(Acetyloxy)phenyl]ethanone
D88059
acetic acid (4-acetylphenyl) ester
Q27159244
EINECS 235-894-3
CHEMBL2271145
NSC41974
Ethanone, 1-[4-(acetyloxy)phenyl]-
Ethanone, 1-(4-(acetyloxy)phenyl)-
4-acetoxy-acetophenone
p-Acetoxyacetophenone
Tox21_302228
ACETOPHENONE, 4'-HYDROXY-, ACETATE

MDL Number

MFCD00017229

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 4-Acetylphenyl acetate (CAS: 13031-43-1)?

4-Acetylphenyl acetate (CAS: 13031-43-1) is a crystalline compound with a molecular weight of approximately 228.26 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong bases. It has a pKa of around 2.3, indicating acidic behavior.

How is 4-Acetylphenyl acetate (CAS: 13031-43-1) typically synthesized?

4-Acetylphenyl acetate is typically synthesized via the acetylation of 4-acetylphenol using acetic anhydride in the presence of an acid catalyst. The reaction is carried out under mild conditions and provides a high yield. The selectivity is generally good, and the product can be isolated by simple recrystallization.

What industries use 4-Acetylphenyl acetate (CAS: 13031-43-1)?

4-Acetylphenyl acetate is primarily used in the pharmaceutical and chemical industries. It serves as a precursor for the synthesis of various organic compounds and is also used in the production of fragrances and flavorings. Additionally, it has applications in the polymer industry for modifying the properties of polymers.

What precautions should be taken when handling 4-Acetylphenyl acetate (CAS: 13031-43-1)?

When handling 4-Acetylphenyl acetate (CAS: 13031-43-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up promptly using appropriate absorbent materials. Refer to the Material Safety Data Sheet (MSDS) for detailed emergency procedures and safety measures.