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Geranylacetone (Z/E)

CAT: 0931-T8368-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T8368-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
689-67-8
Target
Others
Related Pathways
Others
Purity
0.9988
Bioactivity
Geranylacetone (Z/E) (Dihydropseudoionone) is a naturally occurring compound found in the essential oils of many plants, including rosemary, lavender and jasmine. It has antioxidant, anti-inflammatory and anti-microbial properties.
Smiles
C(CCC=C(C)C)(=CCCC(C)=O)C
Molecular Formula
C13H22O
Molecular Weight
194.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Geranylacetone

Geranyl acetone is a monoterpene ketone in which an (E)-geranyl group is bonded to one of the alpha-methyls of acetone. It is a component of essential oils from various plants including Nelumbo nucifera. It has a role as a volatile oil component, a flavouring agent, a fragrance and a plant metabolite. It contains a geranyl group.

CAS Number689-67-8
PubChem CID1549778
IUPAC Name(5E)-6,10-dimethylundeca-5,9-dien-2-one
Molecular FormulaC13H22O
Molecular Weight194.31
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity230
SMILES
CC(=CCC/C(=C/CCC(=O)C)/C)C
InChI
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
Chemical Structure
2D Structure
2D structure of Geranylacetone
CAS: 689-67-8
CID: 1549778
Formula: C13H22O
MW: 194.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.31
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass194.167065321
Monoisotopic Mass194.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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