Cas no 1862-61-9 (2,6-Octadienoic acid,3,7-dimethyl-, methyl ester, (2Z)-)

2,6-Octadienoic acid,3,7-dimethyl-, methyl ester, (2Z)- structure
1862-61-9 structure
Product Name:2,6-Octadienoic acid,3,7-dimethyl-, methyl ester, (2Z)-
CAS No:1862-61-9
MF:C11H18O2
MW:182.259423732758
CID:164223
PubChem ID:5365912
Update Time:2025-04-19

2,6-Octadienoic acid,3,7-dimethyl-, methyl ester, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2,6-Octadienoic acid,3,7-dimethyl-, methyl ester, (2Z)-
    • methyl (Z)-3,7-dimethylocta-2,6-dienoate
    • (Z)-Geranic acid, methyl ester
    • cis-Geranic acid methyl ester
    • Methyl nerolate
    • Z-Methyl geranate
    • Einecs 217-466-8
    • Nerolic acid methyl
    • cis-Geranic acid methyl
    • (Z)-Geranic acid methyl
    • (Z)-3,7-Dimethyl-2,6-octadienoic acid methyl ester
    • (2Z)-3,7-Dimethyl-2,6-octadienoic acid methyl ester
    • cis-2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
    • 6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-2
    • Methyl(Z)-3,7-dimethylocta-2,6-dienoate
    • UNII-VBZ4J48WZZ
    • Methyl (2Z)-3,7-dimethyl-2,6-octadienoate #
    • Methyl 3,7-dimethyl-2,6-octadienoate
    • Geranic acid methyl ester
    • NS00012883
    • VBZ4J48WZZ
    • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-
    • Q27291753
    • SCHEMBL17629195
    • 1862-61-9
    • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2Z)-
    • DTXSID90883763
    • methyl (2Z)-3,7-dimethylocta-2,6-dienoate
    • Methyl nerate
    • J-003908
    • Inchi： 1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8-
    • InChI Key： ACOBBFVLNKYODD-NTMALXAHSA-N
    • SMILES： O(C)C(/C=C(/C)\CC/C=C(\C)/C)=O

Computed Properties

  • Exact Mass: 182.13074
  • Monoisotopic Mass: 182.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 220
  • 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
  • XLogP3: 3.4

Experimental Properties

  • Density: 0.909
  • Boiling Point: 247.4°Cat760mmHg
  • Flash Point: 109.6°C
  • Refractive Index: 1.457
  • PSA: 26.3

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