3,3,5-Trimethylcyclohexanone - ≥98%(GC) , CAS No.873-94-9

CAS: 873-94-9 Cat. No.: T161473 Formula: C₉H₁₆O Peso molecolare: 140.23 Beilstein Registry Number: 507452 Numero EC: 212-855-9 PubChem CID: 13398

GRADE & PURITY ≥98%(GC)

Synonyms

EC 212-855-9 | AKOS016844138 | STL146504 | EN300-19037 | FT-0614017 | 3,5,5-Trimethylcyclohexanone | SCHEMBL24862 | 3,5,5-trimethyl cyclohexanone | 3.3.5-Trimethyl cyclohexanone | AKOS000119271 | NCGC00256179-01 | VS-02938 | EINECS 212-855-9 | (+/-)-DIHYD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EC 212-855-9 | AKOS016844138 | STL146504 | EN300-19037 | FT-0614017 | 3,5,5-Trimethylcyclohexanone | SCHEMBL24862 | 3,5,5-trimethyl cyclohexanone | 3.3.5-Trimethyl cyclohexanone | AKOS000119271 | NCGC00256179-01 | VS-02938 | EINECS 212-855-9 | (+/-)-DIHYD

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488181845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181845
• Sorrisi canonici: CC1CC(=O)CC(C1)(C)C
• IUPAC Name: 3,3,5-trimethylcyclohexan-1-one
• InChIKey: POSWICCRDBKBMH-UHFFFAOYSA-N
• INCHI: 1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
• Isomeri SMILES: CC1CC(=O)CC(C1)(C)C
• WGK Germania: 1
• RTECS: GW2185000
• PubChem CID: 13398
• Peso molecolare: 140.23
• Beilstein: 507452
• Reaxy-Rn: 507452

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.445
• Punto di infiammabilità (°F): 150.8 °F
• Punto di infiammabilità (°C): 68°C(lit.)
• Punto di ebollizione (°C): 188-192 °C (lit.)
• Punto di fusione (°C): −10 °C (lit.)
• Peso molecolare: 140.220 g/mol
• XLogP3: 2.200
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 873-94-9, the molecular formula is C9H16O, and the molecular weight is 140.23 g/mol. InChIKey POSWICCRDBKBMH-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.