Cas no 41108-71-8 (2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)-)

2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)- structure
41108-71-8 structure
Product Name:2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)-
CAS No:41108-71-8
MF:C8H12O3
MW:156.179082870483
CID:327389
PubChem ID:13405198
Update Time:2025-04-19

2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)-
    • (2E,4E)-6-HYDROXY-HEXA-2,4-DIENOIC ACID ETHYL ESTER
    • ethyl 6-hydroxyhexa-2,4-dienoate
    • 2,4-Hexadienoic acid,6-hydroxy-,ethyl ester
    • 2,4-Hexadienoic acid,6-hydroxy-,ethyl ester,(2E,4E)
    • 2,4-Hexadienoicacid,6-hydroxy-,ethyl ester,(E,E)
    • ethyl (2E,4E)-6-hydroxy-2,4-hexadienoate
    • ethyl (2E,4E)-6-hydroxyhexa-2,4-dienoate
    • Ethyl 6-hydroxysorbate
    • Hydroxy-6 hexadiene-2,4 oate d'ethyle
    • trans-5-(ethoxycarbonyl)penta-2,4-dien-1-ol
    • 41108-71-8
    • AKOS006331502
    • Inchi： 1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7-9/h3-6,9H,2,7H2,1H3/b5-3+,6-4+
    • InChI Key： ISAAJWKJMFDIDV-GGWOSOGESA-N
    • SMILES： O(C(/C=C/C=C/CO)=O)CC

Computed Properties

  • Exact Mass: 156.07900
  • Monoisotopic Mass: 156.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 159
  • 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
  • XLogP3: 0.7
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.049
  • Boiling Point: 259.9°C at 760 mmHg
  • Flash Point: 108.6°C
  • Refractive Index: 1.483
  • PSA: 46.53000
  • LogP: 0.65420

2,4-Hexadienoic acid,6-hydroxy-, ethyl ester, (2E,4E)- Related Literature

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