(3E)-4-Phenyl-3-buten-2-one

Basic Information

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CAS Number

122-57-6

Molecular Formula

C10H10O

Molecular Weight

146.19 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

Powder

Melting Point

39-42 °C

Boiling Point

260-262 °C

Solubility

Soluble in alcohol, chloroform, diethyl ether.

Refractive Index

1.5836

Vapor Pressure

0.01 mmHg ( 25 °C)

SMILES

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CC(=O)/C=C/c1ccccc1

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChIKey

BWHOZHOGCMHOBV-BQYQJAHWSA-N

LogP

2.2888

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

152

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

4-Phenyl-3-buten-2-one
1-PHENYL-1-BUTEN-3-ONE
ACETOCINNAMONE
BENZYLIDENEACETONE
CINNAMYL METHYL KETONE
FEMA 2881
METHYL STYRYL KETONE
TRANS-4-PHENYL-3-BUTEN-2-ONE
TRANS-4-PHENYL-3-BUTENE-2-ONE
TRANS-BENZALACETONE
TRANS-BENZYLIDENEACETONE
(3E)-4-Phenyl-3-buten-2-one
1-Buten-3-one-1-phenyl
2-Phenylvinyl methyl ketone
4-phenyl-3-buten-2-on
4-Phenyl-but-3-en-2-one
4-Phenylbut-3-en-2-one
4-Phenylbutenone
Benzalacetone
Warfarin Impurity (Benzalacetone)
1-methyl-3-phenyl-2-propen-1-one
Benzalaceton
BENZALAOETONE
benzylidene
Benzylideneacetone,Methyl styryl ketone
METHYLSTYRYL
Methylstyrylketon
NSC 5605
Phenyl-3-buten
(E)-4-phenylbut-3-en-2-one
Benzylidene acetone

MDL Number

MFCD00008779

Customs Code

29143900

FAQ

What is (3E)-4-Phenyl-3-buten-2-one (CAS: 122-57-6)?

(3E)-4-Phenyl-3-buten-2-one is an organic compound with the CAS number 122-57-6. It has the chemical formula C11H10O2 and is characterized by a conjugated ketone group and a phenyl ring. This compound is known for its aromatic and ketonic properties, making it a versatile intermediate in chemical synthesis.

What are the main uses of (3E)-4-Phenyl-3-buten-2-one (CAS: 122-57-6)?

(3E)-4-Phenyl-3-buten-2-one is widely used in pharmaceutical research and development as a key building block for synthesizing various drugs. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it is used in organic synthesis for creating complex molecules and in research for studying reaction mechanisms and chemical properties.

Is (3E)-4-Phenyl-3-buten-2-one (CAS: 122-57-6) safe?

While (3E)-4-Phenyl-3-buten-2-one is generally considered safe when handled properly, it can pose health risks if inhaled, ingested, or comes into contact with skin. Precautions include wearing protective gloves, goggles, and a lab coat. It is advisable to follow OSHA and EPA guidelines for safe handling and storage to ensure compliance with safety standards.

How should (3E)-4-Phenyl-3-buten-2-one (CAS: 122-57-6) be stored?

(3E)-4-Phenyl-3-buten-2-one should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed container made of glass or polyethylene to prevent contamination and degradation. Maintaining storage conditions below 25°C and avoiding high humidity ensures stability and prolongs shelf life.