Cas no 27805-84-1 (2-Pentenoic acid, ethylester, (2Z)-)

2-Pentenoic acid, ethylester, (2Z)- structure
27805-84-1 structure
Product Name:2-Pentenoic acid, ethylester, (2Z)-
CAS No:27805-84-1
MF:C7H12O2
MW:128.168982505798
CID:282960
PubChem ID:5367761
Update Time:2025-04-19

2-Pentenoic acid, ethylester, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid, ethylester, (2Z)-
    • cis-pent-2-enoic acid ethyl ester
    • Ethyl (Z)-pent-2-enoate
    • Ethyl trans-pent-2-enoate 99%
    • ethyl (E)-pent-2-enoate
    • (E)-Ethyl pent-2-enoate
    • MFCD06204561
    • Ethyl trans-pent-2-enoate
    • (2E)-2-Pentenoic acid ethyl ester
    • 24410-84-2
    • Ethyl(E)-2-pentenoate
    • (Z)-2-Pentenoic acid ethyl ester
    • Ethyl (2E)-pent-2-enoate, tech
    • 27805-84-1
    • Ethyl 2-pentenoate
    • ethyl-(2E)-pent-2-enoate
    • LS-12229
    • 2-Pentenoic acid, ethyl ester
    • AKOS006230266
    • Ethyl trans-2-pentenoate
    • Ethyl (E)-2-Pentenoate
    • ETHYL (2E)-PENT-2-ENOATE
    • (E)-2-Pentenoic acid ethyl ester
    • SCHEMBL94678
    • CS-0361328
    • 2-Pentenoic acid, ethylester, (2E)-
    • Inchi： 1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+
    • InChI Key： AGMKVZDPATUSMS-AATRIKPKSA-N
    • SMILES： O(C(/C=C/CC)=O)CC

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.907±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 149.3±9.0 oC (760 Torr),
  • Flash Point: 45.4±6.2 oC,
  • Solubility: Slightly soluble (4.7 g/l) (25 o C),
  • PSA: 26.3

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