Cas no 61137-09-5 (1,2,4-Benzenetricarboxylic Acid 1-(2-ethylhexyl) Ester)

1,2,4-Benzenetricarboxylic Acid 1-(2-ethylhexyl) Ester structure
61137-09-5 structure
Product Name:1,2,4-Benzenetricarboxylic Acid 1-(2-ethylhexyl) Ester
CAS No:61137-09-5
MF:C17H22O6
MW:322.352985858917
CID:491009
PubChem ID:111354
Update Time:2025-04-19

1,2,4-Benzenetricarboxylic Acid 1-(2-ethylhexyl) Ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Benzenetricarboxylic acid, 1-(2-ethylhexyl) ester
    • NS00064378
    • 4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid
    • 1(Or 2)-(2-ethylhexyl) dihydrogen benzene-1,2,4-tricarboxylate
    • 4-(((2-ethylhexyl)oxy)carbonyl)isophthalic acid
    • EINECS 272-110-9
    • starbld0001068
    • Trimellitic anhydride, mono-2-ethylhexyl ester
    • 1,2,4-Benzenetricarboxylic Acid 1-(2-ethylhexyl) Ester
    • 1(or 2)-(2-Ethylhexyl) trimellitate
    • 61137-09-5
    • Trimelliticacid-2-ethylhexyl Ester
    • 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2-ethylhexyl) ester
    • BPAVWKYYIPGEQX-UHFFFAOYSA-N
    • 68735-92-2
    • SCHEMBL4141137
    • Inchi: 1S/C17H22O6/c1-3-5-6-11(4-2)10-23-17(22)13-8-7-12(15(18)19)9-14(13)16(20)21/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)(H,20,21)
    • InChI Key: BPAVWKYYIPGEQX-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(C(=O)O)=CC=1C(=O)O)=O)CC(CC)CCCC

Computed Properties

  • Exact Mass: 320.126
  • Monoisotopic Mass: 322.14163842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 10
  • Complexity: 419
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 106.56

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