Cas no 64535-97-3 (1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI))

1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI) structure
64535-97-3 structure
Product Name:1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI)
CAS No:64535-97-3
MF:C24H38O4
MW:390.556128025055
CID:505841
PubChem ID:5487725
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI)
    • bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate
    • Phthalate, D-secondary octyl
    • DTXSID60214803
    • Phthalate, d secondary octyl
    • 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-
    • 64535-97-3
    • Inchi： 1S/C24H38O4/c1-5-7-9-11-15-19(3)27-23(25)21-17-13-14-18-22(21)24(26)28-20(4)16-12-10-8-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3/t19-,20-/m0/s1
    • InChI Key： RLRMXWDXPLINPJ-PMACEKPBSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)O[C@@H](C)CCCCCC)=O)[C@@H](C)CCCCCC

Computed Properties

  • Exact Mass: 390.27714
  • Monoisotopic Mass: 390.27700969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 16
  • Complexity: 394
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

1,2-Benzenedicarboxylicacid, bis(1-methylheptyl) ester, [S-(R*,R*)]- (9CI) Related Literature

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