Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1S,2S,5R)-


Chemical Name: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1S,2S,5R)-
CAS Number: 2552-91-2
Product Number: AG00C4G4(AGN-PC-0O8B31)
Synonyms:
MDL No:
Molecular Formula: C12H22O2
Molecular Weight: 198.3019

Identification/Properties


Computed Properties
Molecular Weight:
198.306g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
198.162g/mol
Monoisotopic Mass:
198.162g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The (1S)-(+)-Neomenthyl acetate is a valuable compound used in chemical synthesis for its unique properties and versatile applications. In organic chemistry, it serves as a chiral building block in the preparation of various pharmaceuticals, agrochemicals, flavors, and fragrances. Its chirality allows for precise control over the stereochemistry of reactions, making it an essential component in asymmetric synthesis. Additionally, (1S)-(+)-Neomenthyl acetate can be used as a resolving agent to separate racemic mixtures into their enantiomeric forms, aiding in the production of optically pure compounds. Its pleasant minty aroma also makes it a popular choice in the fragrance industry. Overall, (1S)-(+)-Neomenthyl acetate plays a crucial role in advancing chemical research and innovation across various fields.