1,5-Diphenylpenta-1,4-dien-3-one

Basic Information

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CAS Number

538-58-9

Molecular Formula

C17H14O

Molecular Weight

234.3 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

107-113 °C

Boiling Point

400.7°C at 760 mmHg

Refractive Index

1.5000 (estimate)

SMILES

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C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+

InChIKey

WMKGGPCROCCUDY-PHEQNACWSA-N

LogP

3.982300000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

272

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Stability

Stable. Incompatible with strong oxidizing agents. Combustible.

Synonyms & References

English

D0903
BDBM50240379
Dibenzalacetone [MI]
DTXSID401274418
HMS2547J23
NSC-117234
(1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one
NSC623642
cid_640180
AMY39501
35225-79-7
Opera_ID_794
1,5-Diphenylpenta-1,4-dien-3-one
(E,E)-dibenzalacetone
(1E, 4E)-1,5-diphenyl penta-1,4-dien-3-one
F0349-3714
F10309
(E)-Dibenzylideneacetone
538-58-9
trans,trans-Distyryl Ketone
trans,trans-Dibenzalacetone
IDI1_019345
AS-11697
trans,trans-Dibenzylideneacetone, 98%
trans,trans-Dibenzylideneacetone
EINECS 208-697-5
NCGC00176652-01
J-400838
MLS000331978
trans,trans-Dibenzylideneacetone, 99%
1,4-Pentadien-3-one, 1,5-diphenyl-, (1E,4E)-

MDL Number

MFCD00004790

FAQ

What are the physical and chemical properties of 1,5-Diphenylpenta-1,4-dien-3-one (CAS: 538-58-9)?

1,5-Diphenylpenta-1,4-dien-3-one is a crystalline solid with a molecular weight of approximately 278.29 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It exhibits limited reactivity under normal conditions, but it can undergo electrophilic aromatic substitution and addition reactions under appropriate conditions.

How is 1,5-Diphenylpenta-1,4-dien-3-one (CAS: 538-58-9) typically synthesized?

1,5-Diphenylpenta-1,4-dien-3-one is commonly synthesized via the Wittig reaction using phenylmagnesium bromide and penta-1,4-diene as the starting materials. Alternative methods include the condensation of phenylacetylene with a suitable aldehyde or ketone using a Lewis acid catalyst.

What industries use 1,5-Diphenylpenta-1,4-dien-3-one (CAS: 538-58-9)?

1,5-Diphenylpenta-1,4-dien-3-one is used in the pharmaceutical industry for certain medicinal applications. It also finds use in the polymer industry as a monomer for specific polymer formulations. Additionally, it is employed in sensor technology and semiconductor fabrication due to its unique chemical and physical properties.

What precautions should be taken when handling 1,5-Diphenylpenta-1,4-dien-3-one (CAS: 538-58-9)?

When handling 1,5-Diphenylpenta-1,4-dien-3-one, wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. In case of spill, immediately clean up according to the material safety data sheet (MSDS/SDS) guidelines to prevent skin contact and inhalation. Keep away from sources of ignition and maintain good laboratory hygiene practices.