1-Phenyl-1-butanone

Basic Information

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CAS Number

495-40-9

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

Melting Point

11-13 °C

Boiling Point

228-230 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.520(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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CCCC(=O)c1ccccc1

InChI

InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChIKey

FFSAXUULYPJSKH-UHFFFAOYSA-N

LogP

2.6694000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

123

Safety Information

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GHS Hazard Pictograms

H317

H318

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

n-Butyrophenone
Butyrophenone
Phenyl n-propyl ketone
1-phenylbutan-1-one
n-Butyrophenone Solution
Phenyl Propyl Ketone
1-Benzoylpropane
1-Phenyl-1-butanone
NSC 8463
1-Butanone, 1-phenyl-
Propyl phenyl ketone
1-Phenyl-butan-1-one
FFSAXUULYPJSKH-UHFFFAOYSA-N
186I11WB5B
Butyrophenone, >=99%
propylphenylketone
DSSTox_CID_27059
DSSTox_RID_82076
DSSTox_GSID_47059
K

MDL Number

MFCD00009397

Customs Code

2914399090

FAQ

What regulatory guidelines apply to 1-Phenyl-1-butanone (CAS: 495-40-9)?

1-Phenyl-1-butanone (CAS: 495-40-9) is regulated under various guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical handling and environmental protection. Manufacturers and users must follow specific safety data sheet (SDS) guidelines and ensure proper labeling and storage to comply with these regulations.

Are there alternatives to 1-Phenyl-1-butanone (CAS: 495-40-9) in synthesis?

Alternative reagents for synthesizing similar functional groups include benzophenone, acetophenone, and phenylacetone. These compounds can serve as viable substitutes depending on the specific reaction conditions and desired properties. It is important to evaluate the substituent effects and reaction mechanisms to choose the most suitable alternative.

What is the market or research trend for 1-Phenyl-1-butanone (CAS: 495-40-9)?

The market for 1-Phenyl-1-butanone (CAS: 495-40-9) is driven by its use in various applications such as fragrance and flavoring agents, pharmaceutical intermediates, and organic synthesis. Research trends focus on exploring its use in developing new materials and improving existing chemical processes. Price trends show stability with minor fluctuations due to supply and demand dynamics.

How should waste containing 1-Phenyl-1-butanone (CAS: 495-40-9) be handled?

Waste containing 1-Phenyl-1-butanone (CAS: 495-40-9) should be collected in appropriate containers and stored separately to prevent cross-contamination. Proper incineration or professional waste disposal services should be used to ensure safe disposal. Environmental protection measures include minimizing emissions and proper waste management to comply with local regulations and environmental standards.