Cas no 39283-48-2 (1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane)

1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane structure
39283-48-2 structure
Product Name:1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
CAS No:39283-48-2
MF:C37H52O3
MW:544.806991577148
CID:924427
Update Time:2023-08-02

1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane Chemical and Physical Properties

Names and Identifiers

    • 1,1,3-TRIS(5-TERT-BUTYL-4-HYDROXY-2-METHYLPHENOL)BUTANE
    • 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
    • Topanol CA
    • 1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
    • Trisalkofen BMB
    • Topanol SA
    • TPNC
    • MARK AO 30
    • Tri(butylcresyl)butane
    • GSY 930
    • 1,1,3-Tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butane
    • PRWJPWSKLXYEPD-UHFFFAOYSA-N
    • 4,4',4''-(1-Methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]
    • Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-
    • Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-me
    • Inchi: 1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3
    • InChI Key: PRWJPWSKLXYEPD-UHFFFAOYSA-N
    • SMILES: OC1=CC(C)=C(C=C1C(C)(C)C)C(C1=C(C)C=C(C(=C1)C(C)(C)C)O)CC(C)C1=C(C)C=C(C(=C1)C(C)(C)C)O
    • BRN: 2318488

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 758
  • Topological Polar Surface Area: 60.7
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