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Sulcatone

CAT: 0931-TN6832-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-TN6832-02Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-93-0
Target
Cytochromes P450, Adenosine Receptor, Parasite, Endogenous Metabolite, Antifungal
Related Pathways
Microbiology/Virology, Metabolism, GPCR/G Protein, Neuroscience
Purity
0.9958
Bioactivity
Sulcatone (6-Methyl-5-hepten-2-one) is an alarm/panic pheromone produce by ant species.
Smiles
CC(C)=CCCC(C)=O
Molecular Formula
C8H14O
Molecular Weight
126.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Methyl-5-hepten-2-one

Sulcatone is a heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. It has a role as a volatile oil component, an alarm pheromone and a plant metabolite. It is a heptenone and a methyl ketone.

CAS Number110-93-0
PubChem CID9862
IUPAC Name6-methylhept-5-en-2-one
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity119
SMILES
CC(=CCCC(=O)C)C
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey
UHEPJGULSIKKTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-5-hepten-2-one
CAS: 110-93-0
CID: 9862
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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