Cas no 67754-22-7 (1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI))

1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI) structure
67754-22-7 structure
Product Name:1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI)
CAS No:67754-22-7
MF:C20H32O12
MW:464.460887908936
CID:520536
PubChem ID:53423506
Update Time:2025-04-19

1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI)
    • [2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)-3-hydroxypropyl] acetate
    • 1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate
    • 2-[[3-(acetoxy)-2-[(acetoxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetoxy)methyl]propane-1,3-diyl diacetate
    • [2-[[3-acetoxy-2,2-bis(acetoxymethyl)propoxy]methyl]-2-(acetoxymethyl)-3-hydroxy-propyl] acetate
    • 2-((3-(Acetoxy)-2-((acetoxy)methyl)-2-(hydroxymethyl)propoxy)methyl)-2-((acetoxy)methyl)propane-1,3-diyl diacetate
    • NS00055261
    • 67754-22-7
    • DTXSID60987080
    • EINECS 266-998-7
    • 2-({3-(Acetyloxy)-2,2-bis[(acetyloxy)methyl]propoxy}methyl)-2-(hydroxymethyl)propane-1,3-diyl diacetate
    • Inchi： 1S/C20H32O12/c1-14(22)28-9-19(6-21,10-29-15(2)23)7-27-8-20(11-30-16(3)24,12-31-17(4)25)13-32-18(5)26/h21H,6-13H2,1-5H3
    • InChI Key： VZVWNXVAXMKIBP-UHFFFAOYSA-N
    • SMILES： O(CC(CO)(COC(C)=O)COC(C)=O)CC(COC(C)=O)(COC(C)=O)COC(C)=O

Computed Properties

  • Exact Mass: 464.18936
  • Monoisotopic Mass: 464.189
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 20
  • Complexity: 593
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 161A^2
  • XLogP3: -0.9

Experimental Properties

  • Density: 1.222
  • Boiling Point: 533.5°C at 760 mmHg
  • Flash Point: 172.3°C
  • Refractive Index: 1.473
  • PSA: 160.96

1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI) Related Literature

67754-22-7 (1,3-Propanediol,2-[[3-(acetyloxy)-2-[(acetyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetyloxy)methyl]-,1,3-diacetate (9CI)) Related Products

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