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(+) -Menthyl acetate

CAT: 0804-HY-W317408Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W317408Size:1 Each
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Description
(+) -Menthyl acetate is a compound isolated from natural Cunila angustifolia Benth essential oil. The selectivity of (+) -Menthyl acetate is higher than that of MCF-7 cell line, IC50=34.0 μg mL-1, and lower than that of SK-Mel-28 cell line, IC50=279.9 μg mL-1, on A549 cell without fatal [1].
CAS Number
5157-89-1
UNSPSC
12352200
Hazard Statement
H227-H315
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/plus-menthyl-acetate.html
Solubility
10 mM in DMSO
Smiles
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C
Molecular Formula
C12H22O2
Molecular Weight
198.30
Precautions
P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501
References & Citations
[1]de Sousa MHO, et al. Cytotoxic Activity of Cunila angustifolia Essential Oil. Chem Biodivers. 2020 Feb;17 (2) :e1900656.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

(+)-Menthyl acetate

menthyl acetate has been reported in Minthostachys mollis, Origanum cordifolium, and other organisms with data available.

CAS Number5157-89-1
PubChem CID62335
IUPAC Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C)C(C)C
InChI
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1
InChIKey
XHXUANMFYXWVNG-WCQGTBRESA-N
Chemical Structure
2D Structure
2D structure of (+)-Menthyl acetate
CAS: 5157-89-1
CID: 62335
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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