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Prenyl acetate

CAS No.:
1191-16-8
Catalog Number:
AG000I6T
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG000I6T
Chemical Name:
Prenyl acetate
CAS Number:
1191-16-8
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00036569
IUPAC Name:
3-methylbut-2-enyl acetate
InChI:
InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChI Key:
XXIKYCPRDXIMQM-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=C(C)C
EC Number:
214-730-4
UNII:
I7KOV03HGS
FEMA Number:
4202
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Defensive compounds and male-produced sex pheromone of the stink bug, Agroecus griseus. Journal of chemical ecology 20120901
An alarm pheromone modulates appetitive olfactory learning in the honeybee (apis mellifera). Frontiers in behavioral neuroscience 20100101
Behavioral genomics of honeybee foraging and nest defense. Die Naturwissenschaften 20070401
Discovery of 3-methyl-2-buten-1-yl acetate, a new alarm component in the sting apparatus of Africanized honeybees. Journal of chemical ecology 20030201
An X-ray study of the effect of the bite angle of chelating ligands on the geometry of palladium(allyl) complexes: implications for the regioselectivity in the allylic alkylation. Inorganic chemistry 20010702
Properties