Cas no 1733-37-5 (2,4-Hexadienedioicacid, 1,6-dimethyl ester)

2,4-Hexadienedioicacid, 1,6-dimethyl ester structure
1733-37-5 structure
Product Name:2,4-Hexadienedioicacid, 1,6-dimethyl ester
CAS No:1733-37-5
MF:C8H10O4
MW:170.162602901459
CID:237283
PubChem ID:5370244
Update Time:2025-04-19

2,4-Hexadienedioicacid, 1,6-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,4-Hexadienedioicacid, 1,6-dimethyl ester
    • dimethyl (2Z,4E)-hexa-2,4-dienedioate
    • 1,2-Dimethoxycarbonyl-8-acetyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
    • AK129100
    • cis,cis-muconic acid dimethyl ester
    • dimethyl (2S)-2-aminoadipate
    • dimethyl (2S,3aR,8aS)-8-acetyl-1,2,3,3a,8,8a-hexahydropyrrolo< 2,3-b> indole-1,2-dicarboxylate
    • dimethyl (2Z,4Z)-3-methylhexa-2,4-diene-1,6-dioate
    • Dimethyl (Z,Z)-muconate
    • dimethyl meso-(2R,6S)-piperidine-2,6-dicarboxylate hydrochloride
    • hexa-2,4-dienedioic acid di
    • Dimethyl (E,E)-2,4-hexadienoate
    • 1,6-dimethyl hexa-2,4-dienedioate
    • E2B8XTM21E
    • DIMETHYL 2,4-HEXADIENE-1,6-DIOATE
    • 2,4-Hexadienedioic acid, dimethyl ester,
    • trans,trans-Dimethyl muconate
    • 1733-37-5
    • 1,6-DIMETHYL (2E,4E)-HEXA-2,4-DIENEDIOATE
    • (1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester
    • starbld0008151
    • BAA11943
    • Muconic acid (E,E)-form dimethyl ester [MI]
    • trans,trans-muconic acid dimethyl ester
    • dimethyl (2E,4E)-hexa-2,4-dienedioate
    • EN300-1700269
    • dimethyl hexa-2,4-dienedioate
    • 2,4-Hexadienedioic acid, 1,6-dimethyl ester, (2E,4E)-
    • (E,E)-dimethyl muconate
    • SCHEMBL821014
    • 2, dimethyl ester, (E,E)-
    • 2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER
    • 1119-43-3
    • Dimethyl (E,Z)-muconate
    • UNII-E2B8XTM21E
    • dimethyl trans-transmuconate
    • Q27276777
    • 2,4-Hexadienedioic acid, dimethyl ester, (E,Z)-
    • NSC167514
    • EN300-2010616
    • Dimethyl trans,trans-muconate
    • Dimethyl muconate, (E,E)-
    • dimethyl trans-muconate
    • NSC-167514
    • trans,trans dimethyl muconate
    • Dimethyl (E,Z)-2,4-hexadienedioate
    • (2E,4E)-muconic acid dimethyl ester
    • Inchi： 1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+
    • InChI Key： PXYBXMZVYNWQAM-GGWOSOGESA-N
    • SMILES： O(C)C(/C=C/C=C/C(=O)OC)=O

Computed Properties

  • Exact Mass: 170.0579
  • Monoisotopic Mass: 170.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.099g/cm3
  • Boiling Point: 250.8oC at 760mmHg
  • Flash Point: 121.7oC
  • Refractive Index: 1.464
  • PSA: 52.6
  • LogP: 0.44480

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