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2-Octyldecanoic acid

  • CAS No. 619-39-6

  • Cat. No. CS-0237592
  • Purity≥98%
  • MDL No.MFCD00506623

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

2-Octyldecanoic acid|CS-0237592

Structure of 619-39-6

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General Information

  • CAS No. 619-39-6
  • Cat. No. CS-0237592
  • Purity ≥98%
  • MDL No. MFCD00506623
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₃₆O₂
  • Molecular Weight 284.48
  • Synonym(s) Octyldecanoic acid
  • SMILES CCCCCCCCC(CCCCCCCC)C(O)=O

Description

2-Octyldecanoic acid features a long aliphatic chain with a branched octyl substituent at the second carbon, enhancing its hydrophobic character and thermal stability. This structural motif supports its use in specialty surfactants and lipid-based formulations where controlled solubility and surface activity are critical.

Application

2-Octyldecanoic acid serves as a versatile long-chain fatty acid building block, enabling the synthesis of esters, amides, and other functionalized derivatives through standard carbonyl transformations. Its aliphatic backbone provides excellent solubility in organic media and bench stability, facilitating straightforward purification and handling in synthetic workflows. Functions as a structural motif in lipid-based materials and bioactive molecule scaffolds.

Synthesis

  • Route1

    References

    • Alkermes, Inc. Patent: US2011/166128 A1, 2011 ; Location in patent: Page/Page column 68-69 ;
  • Route2

    References

    • Yamamoto, Hirofumi; Oda, Masataka; Nakano, Mayo; Watanabe, Naoyuki; Yabiku, Kenta; Shibutani, Masahiro; Inoue, Masahisa; Imagawa, Hiroshi; Nagahama, Masahiro; Himeno, Seiichiro; Setsu, Kojun; Sakurai, Jun; Nishizawa, Mugio Journal of Medicinal Chemistry, 2013 , vol. 56, # 1 p. 381 - 385
  • Route3

    References

    • Rosatzin, Thomas; Holy, Petr; Seiler, Kurt; Rusterholz, Bruno; Simon, Wilhelm Analytical Chemistry, 1992 , vol. 64, # 18 p. 2029 - 2035

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P302+P352-P304+P340-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   6.1884
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   15

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