4-Phenyl-3-butyn-2-one

Basic Information

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CAS Number

1817-57-8

Molecular Formula

C10H8O

Molecular Weight

58.08 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

4°C

Boiling Point

130°C/22mmHg

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.574(lit.)

SMILES

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CC(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3

InChIKey

UPEUQDJSUFHFQP-UHFFFAOYSA-N

LogP

0.5952999999999999

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

197

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AKOS015840572
1817-57-8
EINECS 217-327-1
SY051763
FS-5129
3-Butyn-2-one, 4-phenyl-
AMY9693
4-07-00-01175 (Beilstein Handbook Reference)
J-011625
SCHEMBL433104
CBiol_000156
FT-0725660
ICCB2_000156
F21355
CHEBI:51731
A812634
P1336
DTXSID50171178
CS-W004450
BRN 0878583
4-Phenylbut-3-yn-2-one
Q27122725
NS00025980
MFCD00008776
4-Phenyl-3-butyn-2-one, 96%
4-Phenyl-3-butyn-2-one
InChI=1/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H
CHEMBL2288882
1-Phenyl-1-butyn-3-one
acetylphenyl-acetylene
4-phenyl-but-3-yn-2-one

MDL Number

MFCD00008776

Customs Code

2914399090

FAQ

What regulatory guidelines apply to 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8)?

4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) falls under various regulatory guidelines such as GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical due to its flammability and reactivity. Compliance with these regulations is crucial for safe handling, storage, and disposal.

Are there alternatives to 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) in synthesis?

While 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) is a useful compound in organic synthesis, alternatives like 4-Phenyl-3-buten-2-one and other isomers can be used depending on the specific application. Common alternative reagents include 4-Phenyl-2-butyne and 4-Phenyl-3-pentyn-2-one, which can serve similar functions in synthetic routes.

What is the market or research trend for 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8)?

The market for 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) is driven by its applications in pharmaceuticals, agrochemicals, and fine chemicals. Research trends focus on its use in developing new drug candidates and as a precursor in synthetic chemistry. Recent studies are exploring its role in anti-cancer and anti-inflammatory therapies, indicating growing interest in its biological activities.

How should waste containing 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) be handled?

Waste containing 4-Phenyl-3-butyn-2-one (CAS: 1817-57-8) should be collected in appropriate containers and stored under controlled conditions to prevent spillage and contamination. For disposal, it is recommended to incinerate the waste in a professional incineration facility or use a reputable hazardous waste disposal service. Proper environmental protection measures, including the use of personal protective equipment, are essential to ensure safe handling and disposal.