2,2,6-Trimethylcyclohexanone - ≥96% , CAS No.2408-37-9

CAS: 2408-37-9 Cat. No.: T405118 Fórmula: C₉H₁₆O Peso molecular: 140.23 Número CE: 219-309-9 PubChem CID: 17000

GRADE & PURITY ≥96%

Synonyms

1,3-Trimethyl-2-cyclohexanone | InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H | Cyclohexanone, 2,2,6-trimethyl- | Cyclohexanone,2,6-trimethyl- | EINECS 219-309-9 | T3944 | 2,2,6-TRIMETHYLCYCLOHEXANONE [FHFI] | AKOS015903247 | AS-44336 | HY-W077671

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Maximum Absorption Wavelength:292(EtOH)nm

Product Application:

2,2,6-Trimethylcyclohexanone is used as a flavoring agent. It is also used to prepare terpene viz. beta-ionone.

Specifications

Sinónimos

1,3-Trimethyl-2-cyclohexanone | InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H | Cyclohexanone, 2,2,6-trimethyl- | Cyclohexanone,2,6-trimethyl- | EINECS 219-309-9 | T3944 | 2,2,6-TRIMETHYLCYCLOHEXANONE [FHFI] | AKOS015903247 | AS-44336 | HY-W077671

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 508807566
• Sorrisos canónicos: CC1CCCC(C1=O)(C)C
• IUPAC Name: 2,2,6-trimethylcyclohexan-1-one
• InChIKey: ZPVOLGVTNLDBFI-UHFFFAOYSA-N
• INCHI: 1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
• SMILES isoméricas: CC1CCCC(C1=O)(C)C
• PubChem CID: 17000
• Número UN: 1224
• Grupo de embalagem: III
• Peso molecular: 140.23
• Reaxy-Rn: 1905593

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Solubilidade: Slightly miscible with water.
• Índice de refração: 1.45
• Ponto de inflamação (°C): 51 °C
• Ponto de ebulição (°C): 178 °C
• Peso molecular: 140.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.12 Da
• Monoisotopic Mass: 140.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

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2. Zixin Ni, Yiqin Chen, Hongjing Pan, Jiayi Chen, Wangjing Wu, Danqiu Li, Jiaying Yang, Zi Wang, Jiaxin Wu, Yuefei Wang, Jihong Zhou.  (2026)  Valorization of tea stems: Dynamic changes in volatile and non-volatile components via Tencha processing.  FOOD CHEMISTRY,      [PMID:41558320] [10.1016/j.foodchem.2026.148008]

3. Zixin Ni, Yiqin Chen, Hongjing Pan, Jiayi Chen, Wangjing Wu, Danqiu Li, Jiaying Yang, Zi Wang, Jiaxin Wu, Yuefei Wang, Jihong Zhou.  (2026)  Volatile Profile and Aroma Development in Steamed Green Tea Flakes Using the Tencha Processing Procedure.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2026.119079]

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