(+)-Dihydrocarvone - ≥98%, mixture of isomers , CAS No.7764-50-3

CAS: 7764-50-3 Cat. No.: D102532 Fórmula: C₁₀H₁₆O Peso molecular: 152.23 Número EC: 231-857-0

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

SCHEMBL309206 | C18018 | AZOCECCLWFDTAP-UHFFFAOYSA-N | Cyclohexanone,2-methyl-5-(1-methylethenyl)- | an isodihydrocarvone | p-Menth-8-en-2-one | 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel- | p-Me

Storage

Room temperature

Shipped In

Normal

Descripción general

(+)-Dihydrocarvone (mixture of isomers) is a monoterpenoid compound, mainly used as a building block to prepare sesquiterpenes

Specifications

Sinónimos

SCHEMBL309206 | C18018 | AZOCECCLWFDTAP-UHFFFAOYSA-N | Cyclohexanone,2-methyl-5-(1-methylethenyl)- | an isodihydrocarvone | p-Menth-8-en-2-one | 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel- | p-Me

Especificaciones y pureza

≥98%, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182891
• Sonrisas canónicas: CC1CCC(CC1=O)C(=C)C
• IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
• InChIKey: AZOCECCLWFDTAP-UHFFFAOYSA-N
• INCHI: 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3
• Isómeros SMILES: CC1CCC(CC1=O)C(=C)C
• WGK Alemania: 2
• RTECS: OT0305000
• CAS alternativo: 5524-05-0
• Peso molecular: 152.23
• Reaxy-Rn: 1238596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238596&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: an iso dihydrocarvone

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

Propiedades químicas y físicas

• Índice de refracción: 1.471
• Punto de inflamación (°F): 177.8 °F
• Punto de inflamación (°C): 81 °C
• Punto de ebullición (°C): 87-88°C
• Peso molecular: 152.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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

Referencias

1. Yingjie Lu, Yuqi Cao, Danqing Chen, Yaobin Zhou, Li Zhang, Yue Su, Yinlong Guo.  (2022)  An online derivatization strategy targeting carbon–carbon double bonds by laser-ablation carbon fiber ionization mass spectrometry imaging: Unraveling the spatial characteristic in mountain-cultivated ginseng and garden-cultivated ginseng with different ages.  FOOD CHEMISTRY,      [PMID:36608558] [10.1016/j.foodchem.2022.135365]

2. Chen Longlong, Gong Yu, Ma Weihua, Jiang Yusuo, Zhao Huiting.  (2025)  Exploring how starvation and insulin regulate olfactory preference in Apis cerana cerana.  JOURNAL OF EXPERIMENTAL BIOLOGY,  228  (18):   [PMID:41025241] [10.1242/jeb.250880]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7764-50-3, the molecular formula is C10H16O, and the molecular weight is 152.23 g/mol. InChIKey AZOCECCLWFDTAP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.