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(Z) -8-Dodecenyl acetate

CAT: 0013-GTR19202251-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202251-01Size:1 mg
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Description
Orfralure, the (Z) -8-dodecenyl acetate, is a sex pheromone of the pear psyllid. It is utilized in agricultural research for studying insect behavior and developing eco-friendly pest management strategies, including field-based monitoring and mating disruption trials.
CAS Number
28079-04-1
Product Name Alternative
Orfralure
Purity
90.06% (May vary between batches)
Solubility
DMSO:22.64 mg/mL (100.02 mM)
Smiles
CCC\C=C/CCCCCCCOC (C) =O
Molecular Formula
C14H26O2
Molecular Weight
226.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isomate-M
CAS Number28079-04-1
PubChem CID44152482
IUPAC Name(Z)-dodec-8-en-1-ol;[(E)-dodec-8-enyl] acetate
Molecular FormulaC26H50O3
Molecular Weight410.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count29
Formal Charge0
Complexity293
SMILES
CCC/C=C\CCCCCCCO.CCC/C=C/CCCCCCCOC(=O)C
InChI
InChI=1S/C14H26O2.C12H24O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6H,3-4,7-13H2,1-2H3;4-5,13H,2-3,6-12H2,1H3/b6-5+;5-4-
InChIKey
LKMWDVVIKGSQPP-NMUNODQISA-N
Chemical Structure
2D Structure
2D structure of Isomate-M
CAS: 28079-04-1
CID: 44152482
Formula: C26H50O3
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass410.37599545
Monoisotopic Mass410.37599545
Topological Polar Surface Area46.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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