Cyclohexyl(phenyl)methanone

Basic Information

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CAS Number

712-50-5

Molecular Formula

C13H16O

Molecular Weight

188.27 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

55.0 to 59.0 deg-C

Boiling Point

168°C/20mmHg

Density

0.9671 (rough estimate)

Refractive Index

1.5435 (estimate)

SMILES

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C1CCC(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

InChIKey

BMFYCFSWWDXEPB-UHFFFAOYSA-N

LogP

3.449600000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

185

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

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

Synonyms & References

English

4-07-00-01062 (Beilstein Handbook Reference)
cyclohexyl(phenyl);methanone
DTXSID5048182
EINECS 211-923-5
BMFYCFSWWDXEPB-UHFFFAOYSA-
Tox21_303653
Cyclohexylphenylketone
0NU53987V8
NCGC00257313-01
W-104529
AC-10377
SY049423
cyclohexyl-phenylmethanone
A837127
Cyclohexyl phenyl ketone
NSC818
CHEMBL3188506
EN300-20320
Phenyl cyclohexyl ketone
Cyclohexyl(phenyl)methanone #
Benzoylcyclohexane
Cyclohexyl-phenyl-methanone
AI3-11009
WLN: L6TJ AVR
NSC-818
AKOS000120281
Q27237012
FT-0624211
MFCD00001467
Cyclohexylphenyl ketone
NSC 818

MDL Number

MFCD00001467

Customs Code

29143900

FAQ

What regulatory guidelines apply to Cyclohexyl(phenyl)methanone (CAS: 712-50-5)?

Cyclohexyl(phenyl)methanone (CAS: 712-50-5) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which classifies it as a flammable liquid. In the European Union, it is also subject to the REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA). Additionally, the FDA and EPA may have specific requirements for the handling and use of this compound in the United States, particularly in commercial and industrial settings.

Are there alternatives to Cyclohexyl(phenyl)methanone in synthesis (CAS: 712-50-5)?

Cyclohexyl(phenyl)methanone (CAS: 712-50-5) can be synthesized with alternatives such as benzaldehyde or acetophenone, which are isomers and can serve similar roles in certain reactions. Other common alternatives include benzyl methyl ketone and cyclohexanone, which may offer similar functional groups and properties for synthetic purposes.

What is the market or research trend for Cyclohexyl(phenyl)methanone (CAS: 712-50-5)?

The market for Cyclohexyl(phenyl)methanone (CAS: 712-50-5) is growing due to its use in pharmaceuticals, agrochemicals, and aroma compounds. Research trends are focusing on its role in developing new drugs and pesticides, as well as in the production of fragrances and flavorings. Recent studies have also explored its potential in polymer synthesis and as a solvent in various chemical processes.

How should waste containing Cyclohexyl(phenyl)methanone (CAS: 712-50-5) be handled?

Waste containing Cyclohexyl(phenyl)methanone (CAS: 712-50-5) should be collected in suitable containers, ensuring minimal spillage and proper labeling. The waste should be neutralized before disposal to prevent environmental contamination. Incineration is a common method for waste disposal, provided it meets the environmental and safety requirements. Professional waste disposal services are recommended to ensure compliance with local regulations and environmental protection standards.