(-)-Menthone - ≥90%(GC) , CAS No.14073-97-3

CAS: 14073-97-3 Cat. No.: M158010 Peso molecular: 154.25 Número EC: 237-926-1

GRADE & PURITY ≥90%(GC)

Synonyms

SDCCGMLS-0066582.P001 | (2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone | (2S,5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE | NCGC00178425-01 | Menthone G | p-Menthan-3-one racemic | trans-p-menthone | DTXCID1024384 | L-Menthan-3-one | Tox21_302153 | (-)-M

Storage

Room temperature

Shipped In

Normal

Descripción general

(-)-Menthone is a monoterpenoid compound found in the essential oil extracted from the maturing peppermint (Mentha piperita L.) leaves.

Specifications

Sinónimos

SDCCGMLS-0066582.P001 | (2S, 5R)-5-methyl-2-(1-methylethyl)cyclohexanone | (2S, 5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE | NCGC00178425-01 | Menthone G | p-Menthan-3-one racemic | trans-p-menthone | DTXCID1024384 | L-Menthan-3-one | Tox21_302153 | (-)-M

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 488183018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183018
• Sonrisas canónicas: CC1CCC(C(=O)C1)C(C)C
• IUPAC Name: (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
• InChIKey: NFLGAXVYCFJBMK-BDAKNGLRSA-N
• 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
• Isómeros SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)C
• WGK Alemania: 1
• Peso molecular: 154.25
• 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
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: Menthane monoterpenoids

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

Objetivos asociados (humanos)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ether, alcohol, benzene, acetone.
• Índice de refracción: 1.4480 to 1.4510
• Rotación específica [α]: -15.0 to -24.0 deg(neat)
• Punto de inflamación (°C): 72°C
• Punto de ebullición (°C): 88°C/15mmHg
• Peso molecular: 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: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yixiang Li, Yajun Bai, Tai-Ping Fan, Xiaohui Zheng, Yujie Cai.  (2021)  Characterization of a putative tropinone reductase from Tarenaya hassleriana with a broad substrate specificity.  BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY,  69  (6): (2530-2539).  [PMID:34902878] [10.1002/bab.2302]

2. Xu Xu, Sheng-Dong Wang, Li-Ping Liu, Qiang Fu, Jun Zheng, Ling-Ling Lyu.  (2025)  Screening of Active Component form Essential Oil and Investigation of Its Synergistic Enhancement on the Mosquito-Repellent Efficacy of p-Menthane-3,8-diol.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41428740] [10.1021/acs.jafc.5c08671]