Menthone - mixture of isomers, 98% , CAS No.10458-14-7

CAS: 10458-14-7 Cat. No.: M134785 Formula: C₁₀H₁₈O Molecular Weight: 154.25 Beilstein Registry Number: 774527 EC Number: 233-944-9

GRADE & PURITY mixture of isomers, 98%

Synonyms

5-methyl-2-propan-2-ylcyclohexan-1-one | 2-Isopropyl-5-methylcyclohexanone | MENTHONE | p-Menthan-3-one | p-Menthanone | DL-Menthone | 491-07-6 | 10458-14-7 | 2-Isopropyl-5-methyl-cyclohexanone

Storage

Room temperature

Shipped In

Normal

Overview

Menthone is a cyclic oxygenated terpene and its antioxidant potential has been evaluated.It is one of the key active component of Danshu capsule (DSC), a medicinal compound in traditional Chinese medicine.

Menthone has been used in the following studies:

· To prepare the model flavor mix in a study to investigate the release of various aroma compounds in xanthan-thickened food model systems having different viscosities. 

· As standard in the quantification of volatile constituents and odour-activity value (OAV) in ′Marion′ and ′Black Diamond′.

· Modified semisolid agar antifungal susceptibility method (SAAS) to investigate the anti-fungal activities of various cyclic terpenes against Fusarium verticillioides MRC 826.

Specifications

Synonyms

5-methyl-2-propan-2-ylcyclohexan-1-one | 2-Isopropyl-5-methylcyclohexanone | MENTHONE | p-Menthan-3-one | p-Menthanone | DL-Menthone | 491-07-6 | 10458-14-7 | 2-Isopropyl-5-methyl-cyclohexanone

Specifications & Purity

mixture of isomers, 98%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488180233

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180233

Canonical Smiles

CC1CCC(C(=O)C1)C(C)C

IUPAC Name

5-methyl-2-propan-2-ylcyclohexan-1-one

InChIKey

NFLGAXVYCFJBMK-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3

Isomeric SMILES

CC1CCC(C(=O)C1)C(C)C

WGK Germany

3

Molecular Weight

154.25

Beilstein

774527

Reaxy-Rn

774527

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: a menthone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• x_flash_point_drop_centigrade: 72℃
• x_boil_point_char: 85-88 °C/12 mmHg
• Molecular Weight: 154.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1