Cas no 35641-51-1 (Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI))

Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI) structure
35641-51-1 structure
Product Name:Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI)
CAS No:35641-51-1
MF:C37H52O3
MW:544.806991577148
CID:314175
PubChem ID:3015792
Update Time:2025-04-19

Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI)
    • 4,4',4''-butane-1,1,1-triyltris(2-tert-butyl-5-methylphenol)
    • 4,4',4''-(1,1,1-Butanetriyl)tris[5-methyl-2-(2-methyl-2-propanyl) phenol]
    • Antioxidant CA
    • tris-(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
    • DTXSID10189153
    • Tris(5-tert-butyl-4-hydroxy-o-tolyl)butane
    • EINECS 252-651-7
    • NS00029893
    • SCHEMBL225503
    • 4-[1,1-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-2-tert-butyl-5-methylphenol
    • 35641-51-1
    • FCDMUZZVRLCTLQ-UHFFFAOYSA-N
    • Inchi： 1S/C37H52O3/c1-14-15-37(25-19-28(34(5,6)7)31(38)16-22(25)2,26-20-29(35(8,9)10)32(39)17-23(26)3)27-21-30(36(11,12)13)33(40)18-24(27)4/h16-21,38-40H,14-15H2,1-13H3
    • InChI Key： FCDMUZZVRLCTLQ-UHFFFAOYSA-N
    • SMILES： OC1C=C(C)C(=CC=1C(C)(C)C)C(C1C(C)=CC(=C(C(C)(C)C)C=1)O)(C1C(C)=CC(=C(C(C)(C)C)C=1)O)CCC

Computed Properties

  • Exact Mass: 544.39186
  • Monoisotopic Mass: 544.392
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 710
  • 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
  • Surface Charge: 0
  • Tautomer Count: 165
  • XLogP3: 12
  • Topological Polar Surface Area: 60.7A^2

Experimental Properties

  • Color/Form: White crystalline powder with minimal toxicity
  • Density: 1.034
  • Boiling Point: 608.3°C at 760 mmHg
  • Flash Point: 232.8°C
  • Refractive Index: 1.553
  • PSA: 60.69
  • LogP: 9.75560
  • Solubility: Soluble in acetone \ ethanol \ ether \ ethyl acetate, soluble in methanol \ benzene \ toluene, slightly soluble in carbon tetrachloride \ petroleum ether, insoluble in water

Butane,tris[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]- (9CI) Related Literature

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