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(Z) -8-Dodecenyl acetate

CAT: 1410-M33675-01Size: 1 EachDry Ice: NoHazardous: No
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Description
(Z) -8-Dodecenyl acetate (Orfralure) is a pear psyllid sex pheromone, which can be used to study pear psyllid control.
CAS Number
28079-04-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
226.36
Molecular Formula
C14H26O2
Notes
Research use only, not for human use.
Receptor
Others

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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