4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate | CAS No. 81929-44-4

4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

Basic Information

CAS Number

81929-44-4

Molecular Formula

C29H40O2

Molecular Weight

420.64 g/mol

AD

Basic Physical Properties

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C29H40O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h13-14,17-23,25H,3-12,15-16H2,1-2H3/t23-,25-

InChIKey

ILPSJDLONAPDJJ-ALOJWSFFSA-N

LogP

8.492600000000003

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

477

Synonyms & References

English

  • 81929-44-4
  • SCHEMBL9351271
  • 4-PENTYLPHENYL 4-(TRANS-4-PENTYLCYCLOHEXYL)BENZOATE
  • 4-PENTYLPHENYL4-(TRANS-4-PENTYLCYCLOHEXYL)BENZOATE
  • SCHEMBL9351278
  • 4-PENTYLPHENYL 4-(TRANS-4-PENTYLCYCLOHEXYL)-BENZOATE
  • 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate
  • 4-n-Pentylphenyl trans-4-(4-n-pentylcyclohexyl)benzoate

MDL Number

MFCD11053462

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS: 81929-44-4)?

4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate is a crystalline compound with a molecular weight of approximately 378.5 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong acids and bases. It has a melting point of around 75-77°C and a boiling point of approximately 320-325°C. This compound is typically used in the production of fragrances and as a flavoring agent in foods.

How is 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS: 81929-44-4) typically synthesized?

4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate is synthesized through a multistep process involving the reaction of 4-pentylphenol with 4-(trans-4-pentylcyclohexyl)benzoic acid. Commonly, this involves esterification under acidic conditions, followed by purification steps such as recrystallization. The process typically yields a product with high purity and selectivity, although specific yield and purity can vary depending on the conditions.

What industries use 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS: 81929-44-4)?

4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate is primarily used in the fragrance and flavor industry due to its pleasant aroma. It is also utilized in the food industry as a flavoring agent. Additionally, it can be used in the pharmaceutical industry as a synthetic intermediate and in the cosmetic industry for its aromatic properties. Its applications extend to the polymer industry for specific organoleptic properties and in the development of sensor technologies.

What precautions should be taken when handling 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS: 81929-44-4)?

When handling 4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use absorbent materials to contain the spill and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal guidelines.

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