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CS-W001157 4
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(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

  • CAS No. 133676-09-2

  • Cat. No. CS-0152327
  • Purity≥98%
  • MDL No.MFCD21603881
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate|CS-0152327

Structure of 133676-09-2

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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.

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

Computational Chemistry Data

  • TPSA   61.83
  • LogP   7.3806
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   15

Safety Information

Download SDS
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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