4-Phenylcyclohexanone

Basic Information

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CAS Number

4894-75-1

Molecular Formula

C12H14O

Molecular Weight

174.24 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

77.0 to 80.0 deg-C

Boiling Point

158-160°C 16mm

Refractive Index

1.5363 (estimate)

SMILES

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C1CC(=O)CCC1C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

YKAYMASDSHFOGI-UHFFFAOYSA-N

LogP

2.9133000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

170

Safety Information

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Hazard Statement

Synonyms & References

English

A827634
4-phenylcyclohexan-1-one
Cyclohexanone, 4-phenyl-
SCHEMBL76840
W-106035
EN300-17358
4-phenyl-cyclohexan-1-one
Z56922122
4-phenyl-cyclohexanone
Enamine_005496
CS-W008596
NSC28473
FT-0619406
InChI=1/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
NS00031838
BS-3945
NSC-28473
4-Phenylcyclohexanone
SY046517
P0975
4-Phenylcyclohexanone, >=98%
EINECS 225-517-0
DTXSID80197644
F0001-1279
HMS1409J18
MFCD00001641
4-phenylcyclo-hexanone
4894-75-1
4-Phenylcyclohexanone; NSC 28473
YKAYMASDSHFOGI-UHFFFAOYSA-
4-phenyl-1-cyclohexanone

MDL Number

MFCD00001641

Customs Code

29143900

FAQ

What is 4-Phenylcyclohexanone (CAS: 4894-75-1)?

4-Phenylcyclohexanone is an organic compound with the CAS number 4894-75-1. It is a colorless to pale yellow liquid with a molecular formula of C11H16O. This compound is characterized by its unique aromatic and cyclohexane-like odor and is used in various applications including pharmaceuticals, perfumery, and as a precursor in organic synthesis.

What are the main uses of 4-Phenylcyclohexanone (CAS: 4894-75-1)?

4-Phenylcyclohexanone is widely used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also finds applications in perfumery and fragrance industries due to its pleasant aroma. Additionally, it is utilized in organic synthesis as a building block for synthesizing other compounds.

Is 4-Phenylcyclohexanone (CAS: 4894-75-1) safe?

4-Phenylcyclohexanone (CAS: 4894-75-1) is generally considered safe when handled with appropriate precautions. However, it is mildly irritating to the eyes and skin. Protective measures such as gloves and goggles should be worn during handling. It is also important to avoid inhalation and ingestion. Adequate ventilation and proper storage are recommended to ensure safety.

How should 4-Phenylcyclohexanone (CAS: 4894-75-1) be stored?

4-Phenylcyclohexanone (CAS: 4894-75-1) should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent volatilization and contamination. It is advisable to store it in a well-ventilated area and avoid contact with organic materials that could cause a fire hazard. Ensure the storage area is well-labeled with appropriate hazard symbols and safety instructions.