Cas no 15301-67-4 (Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI))

Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI) structure
15301-67-4 structure
Product Name:Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI)
CAS No:15301-67-4
MF:C45H52O8
MW:720.889594078064
CID:190108
PubChem ID:216213
Update Time:2025-04-19

Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI)
    • 3-[(2-Phenylbutanoyl)oxy]-2,2-bis{[(2-phenylbutanoyl)oxy]methyl}p ropyl 2-phenylbutanoate
    • Feneritrol
    • Feneritrol [INN:DCF]
    • Pentaerythritol tetrakis(2-phenylbutyrate)
    • SD 149-01
    • UNII-2E870BEW3J
    • SD-149-01
    • 2E870BEW3J
    • Q27254620
    • 2,2-Bis{[(2-phenylbutanoyl)oxy]methyl}propane-1,3-diyl bis(2-phenylbutanoate)
    • FENERITROL [INN]
    • [3-(2-phenylbutanoyloxy)-2,2-bis(2-phenylbutanoyloxymethyl)propyl] 2-phenylbutanoate
    • CHEMBL2103934
    • 15301-67-4
    • SCHEMBL2109958
    • NS00121366
    • DTXSID10864574
    • Inchi： 1S/C45H52O8/c1-5-37(33-21-13-9-14-22-33)41(46)50-29-45(30-51-42(47)38(6-2)34-23-15-10-16-24-34,31-52-43(48)39(7-3)35-25-17-11-18-26-35)32-53-44(49)40(8-4)36-27-19-12-20-28-36/h9-28,37-40H,5-8,29-32H2,1-4H3
    • InChI Key： FNDSQXMSCAOERP-UHFFFAOYSA-N
    • SMILES： O(C(C(C1C=CC=CC=1)CC)=O)CC(COC(C(C1C=CC=CC=1)CC)=O)(COC(C(C1C=CC=CC=1)CC)=O)COC(C(C1C=CC=CC=1)CC)=O

Computed Properties

  • Exact Mass: 720.36636
  • Monoisotopic Mass: 720.366
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 24
  • Complexity: 922
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.135
  • Boiling Point: 751.9°Cat760mmHg
  • Flash Point: 298.5°C
  • Refractive Index: 1.556
  • PSA: 105.2

Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI) Related Literature

15301-67-4 (Benzeneacetic acid, a-ethyl-,2,2-bis[(1-oxo-2-phenylbutoxy)methyl]-1,3-propanediyl ester (9CI)) Related Products

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