Cas no 3461-26-5 (2-Ethylhexyl n-octyl phthalate)

2-Ethylhexyl n-octyl phthalate structure
3461-26-5 structure
Product Name:2-Ethylhexyl n-octyl phthalate
CAS No:3461-26-5
MF:C24H38O4
MW:390.556128025055
CID:1058380
PubChem ID:53434894
Update Time:2025-04-20

2-Ethylhexyl n-octyl phthalate Chemical and Physical Properties

Names and Identifiers

    • 2-Ethylhexyl n-octyl phthalate
    • 2-O-(2-ethylhexyl) 1-O-octyl benzene-1,2-dicarboxylate
    • 2-Ethylhexyl n-octyl phthalate1000μg
    • DB-217337
    • 3461-26-5
    • 2-Ethylhexyl octyl benzene-1,2-dicarboxylate
    • DTXSID40700714
    • Inchi: 1S/C24H38O4/c1-4-7-9-10-11-14-18-27-23(25)21-16-12-13-17-22(21)24(26)28-19-20(6-3)15-8-5-2/h12-13,16-17,20H,4-11,14-15,18-19H2,1-3H3
    • InChI Key: HKDPJIPHVYCGGT-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1C(=O)OCCCCCCCC)=O)CC(CC)CCCC

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: 17
  • Complexity: 421
  • 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: 7.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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