Cas no 10402-47-8 (Pentanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester)

Pentanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester structure
10402-47-8 structure
Product Name:Pentanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:10402-47-8
MF:C15O2
MW:212.159303665161
MDL:MFCD00792507
CID:176332
Update Time:2025-04-19

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

Names and Identifiers

    • Pentanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
    • geranyl valerate
    • (2E)-3,7-Dimethyl-2,6-octadienyl pentanoate
    • (E)-3,7-Dimethyl-2,6-octadienyl pentanoate
    • EINECS 233-869-1
    • Pentanoic acid,3,7-dimethyl-2,6-octadienyl ester,(E)
    • MDL: MFCD00792507
    • Inchi: 1S/C15O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3
    • InChI Key: QQVVYNKYZLQOTM-UHFFFAOYSA-N
    • SMILES: [C][C][C][C]C(O[C]/[C]=C(\[C][C]/[C]=C(\[C])/[C])/[C])=O |^1:0,7,11,13,14,15,^4:1,2,3,6,9,10|

Computed Properties

  • Exact Mass: 238.19300
  • Monoisotopic Mass: 238.193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 271
  • 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

  • Density: 0.894
  • Boiling Point: 316.8°Cat760mmHg
  • Flash Point: 100.6°C
  • Refractive Index: 1.461
  • PSA: 26.30000
  • LogP: 4.41250
  • FEMA: 4123 | GERANYL VALERATE

Pentanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester Pricemore >>

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