Cas no 119-05-1 (1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester)

1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester structure
119-05-1 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester
CAS No:119-05-1
MF:C26H42O4
MW:418.609288692474
CID:221612
PubChem ID:67057
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester
    • 6-methylheptyl 8-methylnonyl phthalate
    • 6-methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
    • Phthalic acid 1-(6-methylheptyl)2-(8-methylnonyl) ester
    • 119-05-1
    • NS00123330
    • 4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate
    • EINECS 204-293-8
    • DTXSID80922837
    • Inchi： 1S/C26H42O4/c1-21(2)13-9-6-5-7-11-19-29-25(27)23-15-17-24(18-16-23)26(28)30-20-12-8-10-14-22(3)4/h15-18,21-22H,5-14,19-20H2,1-4H3
    • InChI Key： LWMZLERUOSRYNT-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(=CC=1)C(=O)OCCCCCC(C)C)=O)CCCCCCCC(C)C

Computed Properties

  • Exact Mass: 418.30846
  • Monoisotopic Mass: 418.30831
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 18
  • Complexity: 450
  • 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: 10.4
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Density: 0.973
  • Boiling Point: 405.7°Cat760mmHg
  • Flash Point: 216.3°C
  • Refractive Index: 1.487
  • PSA: 52.6

1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester Related Literature

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