trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one

Basic Information

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CAS Number

125962-80-3

Molecular Formula

C19H26O

Molecular Weight

270.42 g/mol

Basic Physical Properties

Boiling Point

407.7°C at 760 mmHg

SMILES

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O=C1CCC([C@H]2CC[C@H](C3=CC=C(C)C=C3)CC2)CC1

InChI

InChI=1S/C19H26O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-5,16-18H,6-13H2,1H3/t16-,17-

InChIKey

KPISRXVEAOLMIF-QAQDUYKDSA-N

LogP

5.028120000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

317

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'-Tolylbicyclohexyl-4-one
4'-(p-tolyl)-[1,1'-bi(cyclohexan)]-4-one
trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one
[1,1'-Bicyclohexyl]-4-one,4'-(4-methylphenyl)-, trans-
4'-tolyl-bicyclohexyl-4-one
4-(4-(4-Tolyl)cyclohexyl)cyclohexanone
trans-4'-(4-Methylphenyl)-[1,1'-bicyclohexyl]-4-one
4'-p-tolylbi(cyclohexan)-4-one
4'-tolyl-bicyclohexyl-4-one 4-(4-(4-Tolyl)cyclohexyl)cyclohexanone
4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one
[1,1'-Bicyclohexyl]-4-one,4'-(4-methylphenyl)-,trans
4-[4-(2-methylphenyl)cyclohexyl]-1-cyclohexanone
4-methyl phenyl dicyclohexyl ketone
4'-tolyl-bicyclohexyl-4-one 4-(4-(4-Tolyl)cyclohexyl)cyclohexanone

MDL Number

MFCD30187299

FAQ

What are the physical and chemical properties of trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one (CAS: 125962-80-3)?

The physical and chemical properties of trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one include a crystalline form, a molecular weight of approximately 322.37 g/mol, and a low water solubility. It exhibits moderate reactivity with certain functional groups. This compound is characterized by its stability under normal conditions, making it suitable for various chemical applications.

How is trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one (CAS: 125962-80-3) typically synthesized?

trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one can be synthesized via the condensation of 4-(p-tolyl)-[1,1'-bicyclohexan]-4-one and toluene-4-piol. The reaction is catalyzed by a suitable acid, leading to a high yield and good selectivity. Common methods involve the use of mild conditions and appropriate solvents.

What industries use trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one (CAS: 125962-80-3)?

trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one is used in various industries, including pharmaceuticals for drug synthesis, polymers for advanced materials, and sensors for chemical detection. Its unique structure also makes it valuable in the semiconductor industry for specific applications.

What precautions should be taken when handling trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one (CAS: 125962-80-3)?

When handling trans-4'-(p-tolyl)-[1,1'-Bi(cyclohexan)]-4-one, it is important to use appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be managed with care, using appropriate containment materials, and the material safety data sheet (MSDS) should be consulted for detailed procedures.