Cas no 68515-44-6 (Diheptyl Phthalate)

Diheptyl Phthalate structure
Diheptyl Phthalate structure
Product Name:Diheptyl Phthalate
CAS No:68515-44-6
MF:C22H34O4
MW:362.502967357636
CID:1728293
PubChem ID:19284
Update Time:2025-04-21

Diheptyl Phthalate Chemical and Physical Properties

Names and Identifiers

    • Diheptyl phthalate
    • Branched and linear diheptyl phthalate
    • Phthalic acid, dialkyl(C7) ester
    • 1,2-BENZENEDICARBOXYLIC ACID, DIHEPTYL ESTER
    • Phthalic acid, dialkyl-C7-ester
    • CHEMBL2140472
    • Dinheptylphthalate
    • 1,2-Benzenedicarboxylic acid, 1,2-diheptyl ester
    • 4-09-00-03180 (Beilstein Handbook Reference)
    • Di-n-heptyl phthalate
    • MFCD00043680
    • DTXCID608662
    • EINECS 222-885-4
    • IE05VO8P8P
    • BIDD:ER0462
    • CHEBI:34677
    • Tox21_303892
    • AKOS015838912
    • CS-W011819
    • Diheptyl phthalate, analytical standard
    • Epitope ID:140106
    • 1,2-Benzenedicarboxylic acid diheptyl ester
    • SY040431
    • S10653
    • Q2943515
    • UNII-IE05VO8P8P
    • 3648-21-3
    • 68515-44-6
    • NS00015469
    • DIHEPTYL PHTHALATE [HSDB]
    • Phthalic acid, diheptyl ester
    • Diisoheptyl Phthalate (mixture of C7 isomers)
    • Diheptyl ester of phthalic acid
    • Dinheptyl phthalate
    • Di-n-Heptylphthalate
    • diheptylphthalate
    • BRN 2336623
    • SCHEMBL124977
    • Diheptyl 1,2benzenedicarboxylate
    • 1,2-Benzenedicarboxylic acid, diisoheptyl ester (9CI); Diisoheptyl phthalate; Jayflex 77; Jayflex DIHP 77
    • NCGC00164188-01
    • HY-W011103
    • HSDB 344
    • CAS-3648-21-3
    • W-109923
    • N-Diheptyl phthalate
    • Phthalic acid, bis-n-heptyl ester
    • NDiheptyl phthalate
    • Heptyl phthalate
    • Diheptyl phthalate, 97%
    • C7-Rich Di-C6-8-branched Alkyl Esters-1,2-Benzenedicarboxylic Acid;
    • Diheptyl 1,2-benzenedicarboxylate
    • C22H34O4
    • 1,2Benzenedicarboxylic acid, diheptyl ester
    • Diisoheptyl Phthalate (mixture of C7 primary and secondary chains)
    • NCGC00356968-01
    • Phthalic Acid Diheptyl Ester
    • Phthalic acid, bis-n-heptyl ester 100 microg/mL in Acetonitrile
    • diheptyl benzene-1,2-dicarboxylate
    • DTXSID8040779
    • Diheptyl Phthalate
    • Inchi： 1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
    • InChI Key： JQCXWCOOWVGKMT-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCC)=O)CCCCCCC

Computed Properties

  • Exact Mass: 362.24570956g/mol
  • Monoisotopic Mass: 362.24570956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 16
  • Complexity: 344
  • 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: 8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • LogP: 7.6 (estimated)

Diheptyl Phthalate Related Literature

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