(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

Name: (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
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CAS No. 133676-09-2
Cat. No. CS-0152327
Purity≥98%
MDL No.MFCD21603881

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FedEx Limited Quantities Ground	$0.00
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(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate|CS-0152327

Structure of 133676-09-2

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General Information

CAS No. 133676-09-2
Cat. No. CS-0152327
Purity ≥98%
MDL No. MFCD21603881
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₃₈O₅
Molecular Weight 454.60
Synonym(s) BENZOIC ACID, 4-(HEXYLOXY)-, 4-[[[(1R)-1-METHYLHEPTYL]OXY]CARBONYL]PHENYL ESTER
SMILES CCCCCC[C@@H](C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

Description

(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate features a chiral octan-2-yl ester linked to a bulky, electron-rich aryl carboxylate bearing a long aliphatic hexyloxy chain. This structure confers enhanced solubility in organic media and improved stability under ambient conditions, enabling efficient incorporation into complex synthetic sequences without racemization.

Application

(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate serves as a stable, bench-ready ester intermediate for the synthesis of bioactive arylcarboxylates. Its structure combines a chiral octan-2-ol backbone with a para-hexyloxy-substituted benzoate ester, enabling predictable reactivity in nucleophilic acyl substitution and facilitating orthogonal functional group handling. The extended aliphatic chain enhances solubility in organic media, supporting ease of purification and compatibility with standard synthetic workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 61.83
LogP 7.3806
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 15

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Material Science Electronic Materials Liquid crystal (LC) materials

Material Science Electronic Materials Liquid Crystal (LC) Materials Nematic Liquid Crystals, Smectic Liquid Crystals

Key Words

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(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

CAS No. 133676-09-2

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