Cas no 5427-03-2 (Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-)

Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)- structure
5427-03-2 structure
Product Name:Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-
CAS No:5427-03-2
MF:C17H28O
MW:248.403625488281
CID:369200
PubChem ID:79476
Update Time:2025-04-19

Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-
    • AC1Q79HH; 2,6-Di-tert-butyl-4-isopropylphenol; NSC14457; EINECS 226-573-9; 2,6-di-t-butyl-4-isopropyl phenol; AC1L2XGS; AR-1D5118; 2,6-di-tert-butyl-4-isopropylphenol; 2,6-di-tert.-butyl-4-isopropyl-phenol; 2,6-di-tert-butyl-4-isopropyl-phenol; CTK8D6386;
    • 60AH9J603Y
    • 2,6-DI(TERT-BUTYL)-4-ISOPROPYLPHENOL
    • NSC14457
    • SCHEMBL1250152
    • 2,6-ditert-butyl-4-propan-2-ylphenol
    • 4-ISOPROPYL-2,6-DI-TERT-BUTYLPHENOL
    • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-
    • PHENOL, 2,6-DI-TERT-BUTYL-4-ISOPROPYL-
    • NS00044861
    • 2,6-Di-tert-butyl-4-isopropylphenol
    • EINECS 226-573-9
    • NSC-14457
    • 5427-03-2
    • DTXSID4063870
    • 4-isopropyl-2,6-di-t-butylphenol
    • Q27263206
    • NSC 14457
    • 2,6-DI-TERT-BUTYL-4-(2-PROPYL)PHENOL
    • UNII-60AH9J603Y
    • Phenol,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-
    • Inchi: 1S/C17H28O/c1-11(2)12-9-13(16(3,4)5)15(18)14(10-12)17(6,7)8/h9-11,18H,1-8H3
    • InChI Key: KSPSGLZRAWUOKJ-UHFFFAOYSA-N
    • SMILES: OC1C(=CC(C(C)C)=CC=1C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 248.21414
  • Monoisotopic Mass: 248.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 242
  • 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
  • XLogP3: 6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
  • LogP: 5.11060
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