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(+) -Isomenthone

CAT: 0804-HY-N7259-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7259-03Size:25 mg
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Description
(+) -Isomenthone is an isomenthone isolated from Ziziphora clinopodioides Lam.. (+) -Isomenthone is an isomer of L-Menthone[1][2].
CAS Number
1196-31-2
UNSPSC
12352211
Hazard Statement
H315-H319-H335-H412
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/isomenthone.html
Purity
99.13
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C1[C@@H](C(C)C)CC[C@@H](C)C1
Molecular Formula
C10H18O
Molecular Weight
154.25
Precautions
P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501
References & Citations
[1]Zhang QH, et al. Essential oils and their compositions as spatial repellents for pestiferous social wasps. Pest Manag Sci. 2013 Apr;69 (4) :542-52.|[2]XING Si-lei, et al. Essential Oil Compositions and Antioxidant Activities of Two Ziziphora Species in Xinjiang. FOOD SCIENCE. 2010, Vol. 31 Issue (7) : 154-159.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(+)-Isomenthone

(+)-isomenthone is an isomenthone. It is an enantiomer of a (-)-isomenthone.

CAS Number1196-31-2
PubChem CID70962
IUPAC Namecis-(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
C[C@@H]1CC[C@@H](C(=O)C1)C(C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKey
NFLGAXVYCFJBMK-RKDXNWHRSA-N
Chemical Structure
2D Structure
2D structure of (+)-Isomenthone
CAS: 1196-31-2
CID: 70962
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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