Cas no 26553-46-8 (3-Hexenoic acid, ethylester, (3E)-)

3-Hexenoic acid, ethylester, (3E)- structure
26553-46-8 structure
Product Name:3-Hexenoic acid, ethylester, (3E)-
CAS No:26553-46-8
MF:C8H14O2
MW:142.195562839508
CID:256247
Update Time:2025-04-19

3-Hexenoic acid, ethylester, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Hexenoic acid, ethylester, (3E)-
    • ETHYL 3-HEXENOATE
    • ETHYL TRANS 3 HEXENOATE
    • Einecs 247-798-9
    • ETHYL CIS-3-HEXENOATE
    • ETHYL T3 HEXENOATE
    • ETHYL TRANS-3-HEXENOATE
    • Ethyl trans-hex-3-enoate
    • FEMA 3342
    • MDL： MFCD00036524
    • Inchi： 1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5-
    • InChI Key： VTSFIPHRNAESED-WAYWQWQTSA-N
    • SMILES： CCOC(C/C=C\CC)=O

Computed Properties

  • Exact Mass: 142.09900
  • Monoisotopic Mass: 142.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.896?g/mL?at 25?°C(lit.)
  • Melting Point: -56
  • Boiling Point: 63-64?°C12?mm Hg(lit.)
  • Flash Point: 139?°F
  • Refractive Index: n20/D 1.426(lit.)
  • PSA: 26.30000
  • LogP: 1.90580

3-Hexenoic acid, ethylester, (3E)- Security Information

  • Hazardous Material transportation number：UN 3272 3/PG 3
  • WGK Germany：3
  • Storage Condition：Keep container sealed Store in a cool \ dry condition in a well sealed container

3-Hexenoic acid, ethylester, (3E)- Pricemore >>

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