BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

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Product

BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

CAS

154102-21-3

Formula

C₄₄H₅₈O₄

Product Description

BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER is a complex organic compound with the molecular formula C₄₄H₅₈O₄. It features a benzoic acid moiety and is characterized by its unique structure that includes cyclohexyl and phenyl groups, making it suitable for various chemical applications.

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Typical Product Specifications

Chemical Structure

Canonicalized Compound

Compound Complexity

893

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Allowed IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenyl-ethyl] 4-(4-pentylcyclohexyl)benzoate

CAS-like Style IUPAC Name

4-(4-pentylcyclohexyl)benzoic acid [(2R)-2-[oxo-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-phenylethyl] ester

Markup IUPAC Name

[(2<I>R</I>)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate

Preferred IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate

Systematic IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)phenyl]carbonyloxy-2-phenyl-ethyl] 4-(4-pentylcyclohexyl)benzoate

Traditional IUPAC Name

4-(4-amylcyclohexyl)benzoic acid [(2R)-2-[4-(4-amylcyclohexyl)benzoyl]oxy-2-phenyl-ethyl] ester

Standard InChI

InChI=1S/C44H58O4/c1-3-5-8-12-33-16-20-35(21-17-33)37-24-28-40(29-25-37)43(45)47-32-42(39-14-10-7-11-15-39)48-44(46)41-30-26-38(27-31-41)36-22-18-34(19-23-36)13-9-6-4-2/h7,10-11,14-15,24-31,33-36,42H,3-6,8-9,12-13,16-23,32H2,1-2H3/t33?,34?,35?,36?,42-/m0/s1

Standard InChIKey

KTIVHFRVDVVCHK-BAFIUCHISA-N

XLogP3-AA Log P

14.8

Exact Mass

650.43351033

Molecular Weight

650.9

Canonical SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OCC(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC[C@@H](C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC

Polar Surface Area Topological

52.6

MonoIsotopic Weight

650.43351033

Chemical Structure

Class

Specialty Materials

Uses of BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

This compound is primarily used in the synthesis of pharmaceuticals, as an intermediate in organic chemistry, and in the development of specialty chemicals and additives.

Industries that use BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

Pharmaceuticals - In the pharmaceutical industry, this compound serves as an intermediate in the synthesis of active pharmaceutical ingredients (APIs), contributing to the development of new medications.
Chemical Manufacturing - Chemical manufacturers utilize this compound in the production of specialty chemicals, leveraging its unique properties for various applications in formulations and product development.
Cosmetics - In the cosmetics industry, it may be used as an ingredient in formulations, enhancing the stability and performance of cosmetic products.

BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

CAS

154102-21-3

Formula

C₄₄H₅₈O₄

Product Description

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Typical Product Specifications

Chemical Structure

Canonicalized Compound

Compound Complexity

893

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Allowed IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenyl-ethyl] 4-(4-pentylcyclohexyl)benzoate

CAS-like Style IUPAC Name

4-(4-pentylcyclohexyl)benzoic acid [(2R)-2-[oxo-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-phenylethyl] ester

Markup IUPAC Name

[(2<I>R</I>)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate

Preferred IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate

Systematic IUPAC Name

[(2R)-2-[4-(4-pentylcyclohexyl)phenyl]carbonyloxy-2-phenyl-ethyl] 4-(4-pentylcyclohexyl)benzoate

Traditional IUPAC Name

4-(4-amylcyclohexyl)benzoic acid [(2R)-2-[4-(4-amylcyclohexyl)benzoyl]oxy-2-phenyl-ethyl] ester

Standard InChI

Standard InChIKey

KTIVHFRVDVVCHK-BAFIUCHISA-N

XLogP3-AA Log P

14.8

Exact Mass

650.43351033

Molecular Weight

650.9

Canonical SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OCC(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC[C@@H](C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC

Polar Surface Area Topological

52.6

MonoIsotopic Weight

650.43351033

Chemical Structure

Class

Specialty Materials

Uses of BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

This compound is primarily used in the synthesis of pharmaceuticals, as an intermediate in organic chemistry, and in the development of specialty chemicals and additives.

Industries that use BENZOIC ACID, 4-(TRANS-4-PENTYLCYCLOHEXYL)-, (1R)-1-PHENYL-1,2-ETHANEDIYL ESTER

Pharmaceuticals - In the pharmaceutical industry, this compound serves as an intermediate in the synthesis of active pharmaceutical ingredients (APIs), contributing to the development of new medications.
Chemical Manufacturing - Chemical manufacturers utilize this compound in the production of specialty chemicals, leveraging its unique properties for various applications in formulations and product development.
Cosmetics - In the cosmetics industry, it may be used as an ingredient in formulations, enhancing the stability and performance of cosmetic products.