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CS-W001157 4
Total: USD 88.00

Isophytol

  • CAS No. 505-32-8

  • Cat. No. CS-0185936
  • Purity≥98%
  • MDL No.MFCD00048380

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

Isophytol|CS-0185936

Structure of 505-32-8

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General Information

  • CAS No. 505-32-8
  • Cat. No. CS-0185936
  • Purity ≥98%
  • MDL No. MFCD00048380
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₄₀O
  • Molecular Weight 296.53
  • Synonym(s) Isovegetable alcohol
  • SMILES OC(C=C)(C)CCCC(C)CCCC(C)CCCC(C)C

Description

Isophytol features a branched hydrocarbon chain with a terminal isoprenoid unit, offering enhanced solubility in organic solvents and stability under standard bench conditions. This structural motif enables efficient incorporation into natural product syntheses and facilitates functionalization at the primary alcohol site.

Application

Isophytol serves as a key building block in the synthesis of natural product derivatives and vitamin E analogs, featuring a saturated isoprenoid chain with a primary alcohol terminus. Its bench-stable structure enables straightforward functionalization via esterification, oxidation, or coupling reactions, while tolerating diverse reaction conditions common in complex molecule assembly. Functions reliably in multi-step syntheses requiring controlled stereochemistry and functional group compatibility.

Synthesis

  • Route1
    • 3,7,11,15-Tetramethylhexadec-1-yn-3-ol|CS-0316258
      29171-23-1
    • ~95%
    • In-stock
      Isophytol|CS-0185936
      505-32-8

    References

    • DSM IP ASSETS B.V. Patent: US2012/302801 A1, 2012 ; Location in patent: Page/Page column 3 ;
  • Route2
    • 3,7,11,15-Tetramethylhexadec-1-yn-3-ol|CS-0316258
      29171-23-1
    • ~1%
    • null|null
      20685-73-8
    • In-stock
      Isophytol|CS-0185936
      505-32-8

    References

    • Izteleuova, M. B.; Noskova, N. F.; Sokol'skii, D. V.; Gafarova, N. A.; Nadirov, N. K. Journal of Organic Chemistry USSR (English Translation), 1980 , p. 975 - 978 Zhurnal Organicheskoi Khimii, 1980 , vol. 16, # 6 p. 1131 - 1135
  • Route3
    • null|null
      593-60-2
    • In-stock
      Hexahydrofarnesyl acetone|CS-0023161
      502-69-2
    • ~90%
    • In-stock
      Isophytol|CS-0185936
      505-32-8

    References

    • Odinokov; Akhmetova; Savchenko; Mallyabaeva; Lobanova Russian Journal of Organic Chemistry, 1998 , vol. 34, # 8 p. 1099 - 1101

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08,GHS09
Signal Word : Danger
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H372-H410
Precautionary Statements : P264-P273-P280-P302+P352-P362-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   6.3625
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   13

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