4-(3-Oxobutyl)phenyl acetate

Basic Information

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CAS Number

3572-06-3

Molecular Formula

C12H14O3

Molecular Weight

206.24 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

123-124 °C/0.2 mmHg

Refractive Index

n20/D 1.509(lit.)

SMILES

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CC(=O)CCc1ccc(cc1)OC(=O)C

InChI

InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3

InChIKey

UMIKWXDGXDJQJK-UHFFFAOYSA-N

LogP

2.1334999999999997

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

227

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Toxicity

LD50 in rats (mg/kg): 3038 ±1266 orally; in rabbits (mg/kg): >2025 dermally; LC50 (24 hr) in rainbow trout, bluegill sunfish (ppm): 21, 18 (Beroza)

Synonyms & References

English

4-(3-Oxobutyl)phenyl acetate
2-Butanone, 4-(p-hydroxyphenyl)-, acetate
2-Butanone, 4-[4-(acetyloxy)phenyl]-
4-(p-hydroxyphenyl)-2-butanonacetate
4-[4-(acetyloxy)phenyl]-2-butanon
Acetate of 4-(hydroxyphenyl)-2-butanone
ENT-32833
para-(2-Acetylethyl)phenyl acetate
Cuelure
4-(p-Acetoxyphenyl)-2-butanone
4-(4-Acetoxyphenyl)-2-butanone
4-(3-Oxobutyl)phenyl acetate (4-(4-Acetoxyphenyl)-2-butanone
4-(4-Acetoxyphenyl)
4-(p-hydroxyphenyl)-2-butanone acetate
4-[4-(acetyloxy)phenyl]-2-butanone
4-ACETOXYPHENYL-2-BUTANONE
Acetic Acid 4-(3-Oxobutyl)phenyl Ester
Cur-lure
FEMA 3652
p-(3-oxobutyl)phenyl acetate
Pherocon
pheroconqff
q-Lure
Cue-lure
Pherocon QFF
4-(4-(Acetyloxy)phenyl)-2-butanone
4-(p-Hydroxyphenyl)-2-butanone, acetate
FE
Q-lure
4-(3-Oxobutyl)phenyl Acetate

MDL Number

MFCD00008704

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 4-(3-Oxobutyl)phenyl acetate (CAS: 3572-06-3)?

4-(3-Oxobutyl)phenyl acetate is a colorless liquid with a molecular weight of approximately 212.26 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. Its vapor pressure is low, and it exhibits typical ester properties with respect to reactivity and acidity.

How is 4-(3-Oxobutyl)phenyl acetate (CAS: 3572-06-3) typically synthesized?

4-(3-Oxobutyl)phenyl acetate is typically synthesized via the esterification of 4-(3-oxobutyl)phenol with acetic acid. Commonly, a catalytic amount of a strong acid such as sulfuric acid is used. The reaction is carried out under mild conditions, and the product is isolated by washing, drying, and distillation. The yield is generally around 80-85%, with good selectivity towards the desired ester product.

What industries use 4-(3-Oxobutyl)phenyl acetate (CAS: 3572-06-3)?

4-(3-Oxobutyl)phenyl acetate is used in the pharmaceutical industry for the preparation of certain drug intermediates due to its chemical functional groups. It is also utilized in the polymer industry for modifying the properties of synthetic polymers. Additionally, it finds applications in the sensor technology sector for chemical sensing applications. Its use in semiconductors is limited but can be explored for specific material properties.

What precautions should be taken when handling 4-(3-Oxobutyl)phenyl acetate (CAS: 3572-06-3)?

Proper personal protective equipment (PPE) is essential when handling 4-(3-Oxobutyl)phenyl acetate, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.