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

CAS: 2408-37-9 Cat. No.: T405118 Formula: C₉H₁₆O Molecular Weight: 140.23 EC Number: 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

Overview

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

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

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 508807566
• Canonical Smiles: 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
• Isomeric SMILES: CC1CCCC(C1=O)(C)C
• PubChem CID: 17000
• UN Number: 1224
• Packing Group: III
• Molecular Weight: 140.23
• Reaxy-Rn: 1905593

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly miscible with water.
• Refractive Index: 1.45
• Flash Point(°C): 51 °C
• Boil Point(°C): 178 °C
• Molecular Weight: 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

References

1. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu.  (2023)  Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea.  Foods,  12  (19): (3702).  [PMID:37835355] [10.3390/foods12193702]

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]

4. Chengzhe Zhou, Jiaxin Fang, Shuaibo Shao, Cheng Zhang, Caiyun Tian, Zhengdong Zhang, Anru Zheng, Yuting Li, Siwei Deng, Changlian Wu, Shengjing Wen, Nadang Long, Zhong Wang, Yuqiong Guo.  (2026)  Decoding volatile compound-aroma attribute correlations in representative Oolong Teas of Fujian: An integrated objective quantification and GC–MS profiling method.  FOOD CHEMISTRY,      [PMID:41698277] [10.1016/j.foodchem.2026.148424]