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

CAS: 2408-37-9 Cat. No.: T405118 分子式: C₉H₁₆O 分子量: 140.23 EC番号: 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

概要

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

同義語

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

仕様と純度

≥96%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

• パブケム・シド: 508807566
• カノニカル・スマイル: 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
• 異性体SMILES: CC1CCCC(C1=O)(C)C
• PubChem CID: 17000
• UN番号: 1224
• 包装グループ: III
• 分子量: 140.23
• Reaxy-Rn: 1905593

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Slightly miscible with water.
• 屈折率: 1.45
• 引火点（°C）: 51 °C
• 沸点（°C）: 178 °C
• 分子量: 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

参考文献

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