Cas no 55066-43-8 (2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester)

2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester structure
55066-43-8 structure
Product Name:2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:55066-43-8
MF:C15H24O2
MW:236.349864959717
CID:371494
PubChem ID:6437404
Update Time:2025-04-19

2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • 3,7-dimethyl-2,6-octadienyl 3-methylcrotonate
    • 3,7-dimethylocta-2,6-dienyl 3-methylbut-2-enoate
    • (2E)-3,7-dimethylocta-2,6-dien-1-yl 3-methylbut-2-enoate
    • 2-Butenoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • Geranyl beta,beta-dimethylacrylate
    • 2-Butenoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • 55066-43-8
    • SCHEMBL1396773
    • DTXSID60886125
    • SCHEMBL1396774
    • EINECS 259-459-2
    • Inchi： 1S/C15H24O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,11H,6,8,10H2,1-5H3/b14-9+
    • InChI Key： SSTYFRKINRGOEX-NTEUORMPSA-N
    • SMILES： O(C(/C=C(\C)/C)=O)C/C=C(\C)/CC/C=C(\C)/C

Computed Properties

  • Exact Mass: 236.17772
  • Monoisotopic Mass: 236.17763
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 325
  • 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: 26.3
  • XLogP3: 4.9

Experimental Properties

  • Density: 0.909
  • Boiling Point: 319.7°C at 760 mmHg
  • Flash Point: 152.8°C
  • Refractive Index: 1.473
  • PSA: 26.3

2-Butenoic acid,3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester Related Literature

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