4-Phenyl-2-butanone

Basic Information

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CAS Number

2550-26-7

Molecular Formula

C10H12O

Molecular Weight

148.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Oil

Melting Point

-13°C

Boiling Point

235 °C

Refractive Index

n20/D 1.512(lit.)

SMILES

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CC(=O)CCc1ccccc1

InChI

InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

LogP

2.2081999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

123

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

Benzylacetone
4-Phenyl-2-butanone
Benzylacetone, (4-Phenyl-2-butanone)
methyl phenethyl ketone
4-phenylbutan-2-one
1-Phenyl-3-butanone
2-Butanone,4-phenyl
4-Penylbutan-2-one
Methyl 2-phenylethyl ketone
Methyl phenylethyl ketone
Phenethyl methyl ketone
Methyl 2-phenethyl ketone
NSC 44829
NSC 813
2-Butanone, 4-phenyl-
Benzyl acetone
beta-Phenylethyl methyl ketone
4-Phenyl-butan-2-one
UZM5QH16YW
AKGGYBADQZYZPD-UHFFFAOYSA-N
Benzylacetone, 99%
DSSTox_RID_79056
DSSTox_CID_13241
DSSTox_GSID_33241
Methyl Phenethyl Ketone
Methyl 2-Phenylethyl Ketone
4-Phenylbutan-2-one

MDL Number

MFCD00008790

Customs Code

29143900

FAQ

What is 4-Phenyl-2-butanone (CAS: 2550-26-7)?

4-Phenyl-2-butanone (CAS: 2550-26-7) is an organic compound with the chemical formula C10H10O. It is a colorless liquid characterized by its ketone functional group and aromatic phenyl ring. Commonly used as an intermediate in chemical synthesis, it exhibits moderate solubility in organic solvents and is known for its stability under standard conditions. Synonyms include 4-phenylbutan-2-one and phenylacetone.

What are the main uses of 4-Phenyl-2-butanone (CAS: 2550-26-7)?

4-Phenyl-2-butanone (CAS: 2550-26-7) is widely used in pharmaceuticals as a precursor for drug synthesis, including antifungal and anti-inflammatory compounds. It also serves in the fragrance industry for creating synthetic aroma compounds and is a key reagent in organic research for producing derivatives like esters and amides. Additionally, it finds applications in polymer science and specialty chemical manufacturing.

Is 4-Phenyl-2-butanone (CAS: 2550-26-7) safe?

4-Phenyl-2-butanone (CAS: 2550-26-7) is generally considered safe when handled properly, but it requires caution. It may cause skin or eye irritation upon contact and is harmful if inhaled or ingested. Safety standards recommend using appropriate protective equipment, such as gloves and safety goggles, and ensuring proper ventilation. It is not classified as a carcinogen but should be managed according to OSHA and EPA guidelines to minimize exposure risks.

How should 4-Phenyl-2-butanone (CAS: 2550-26-7) be stored?

4-Phenyl-2-butanone (CAS: 2550-26-7) should be stored in a cool, dry place below 25°C, away from direct light and moisture. Use airtight, corrosion-resistant containers to prevent contamination and degradation. Ensure proper labeling and store in a well-ventilated area. It is stable under normal storage conditions but should avoid prolonged exposure to heat or light to maintain its chemical integrity.