4-(trans-4-ethylcyclohexyl)benzoic acid

Basic Information

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CAS Number

87592-41-4

Molecular Formula

C15H20O2

Molecular Weight

232.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

370.1℃ at 760 mmHg

Density

0.999

Flash Point

120°C

Refractive Index

1.463

SMILES

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O=C(O)C1=CC=C([C@H]2CC[C@H](CC)CC2)C=C1

InChI

InChI=1S/C15H20O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)/t11-,12-

InChIKey

DUJHWZDXZFNEKU-HAQNSBGRSA-N

LogP

4.0686000000000035

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

246

Synonyms & References

English

4-Ethyl Cyclohexyl Benzoic Acid
4-(trans-4-ethylcyclohexyl)benzoic acid
4-(4-ethylcyclohexyl)benzoic acid
4-TRANS-ETHYLCYCLOHEXYL BENZOIC ACID
4-((1r,4r)-4-Ethylcyclohexyl)benzoic acid
4-(TRANS-4-N-ETHYLCYCLOHEXYL)BENZOIC ACID
4-Trans-EthylcyclohexylBenzoicAcid,2PcaC14H20O2
4-Trans-EthylcyclohexylBenzoicAcid
Benzoic acid, 4-(4-ethylcyclohexyl)-, trans-
KSC495K9T
3896AC
(1r,4r)-4-ethylcyclohexyl benzoate
SBB059633
4-(trans-4-Ethylcyclohexyl)benzoicAcid
4-(trans-4-Ethylcyclohexyl)benzoic acid (ACI)
Benzoic acid, 4-(4-ethylcyclohexyl)-, trans- (9CI)

MDL Number

MFCD06658176

FAQ

What are the physical and chemical properties of 4-(trans-4-ethylcyclohexyl)benzoic acid (CAS: 87592-41-4)?

4-(trans-4-ethylcyclohexyl)benzoic acid is a white crystalline solid at room temperature with a molecular weight of approximately 242.34 g/mol. It has poor water solubility but good solubility in organic solvents like ethanol and acetone. The compound is moderately reactive and can undergo esterification and other acid-base reactions.

How is 4-(trans-4-ethylcyclohexyl)benzoic acid (CAS: 87592-41-4) typically synthesized?

4-(trans-4-ethylcyclohexyl)benzoic acid can be synthesized via the condensation of trans-4-ethylcyclohexylamine with benzoic anhydride in the presence of a catalytic amount of an acid like sulfuric acid. The reaction yields a high purity product with excellent selectivity and good yield.

What industries use 4-(trans-4-ethylcyclohexyl)benzoic acid (CAS: 87592-41-4)?

4-(trans-4-ethylcyclohexyl)benzoic acid is used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It is also utilized in the polymer industry for the preparation of functional polymers, and in the sensor and semiconductor industries for specific applications in these fields.

What precautions should be taken when handling 4-(trans-4-ethylcyclohexyl)benzoic acid (CAS: 87592-41-4)?

When handling 4-(trans-4-ethylcyclohexyl)benzoic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. The compound should be stored in a fume hood to avoid inhalation. In case of a spill, it should be cleaned up immediately using appropriate spill containment and disposal methods. Always refer to the Safety Data Sheet (SDS) for detailed safety information.