3-ISOPROPYL-1-CYCLOHEXANONE , CAS No.23396-36-3

CAS: 23396-36-3 Cat. No.: I168854 Formula: C₉H₁₆O Peso molecolare: 140.227 Numero EC: 840-727-8

Synonyms

AFFBXUKVORMWSC-UHFFFAOYSA-N | Cyclohexanone, 3-(1-methylethyl) | Cyclohexanone, 3-(1-methylethyl)- | BB 0255162 | 3-ISOPROPYL-1-CYCLOHEXANONE | MFCD00154260 | 3-propan-2-ylcyclohexan-1-one | SCHEMBL715938 | SY163056 | 3-isopropyl-cyclohexan-1-one | 3-isop

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AFFBXUKVORMWSC-UHFFFAOYSA-N | Cyclohexanone, 3-(1-methylethyl) | Cyclohexanone, 3-(1-methylethyl)- | BB 0255162 | 3-ISOPROPYL-1-CYCLOHEXANONE | MFCD00154260 | 3-propan-2-ylcyclohexan-1-one | SCHEMBL715938 | SY163056 | 3-isopropyl-cyclohexan-1-one | 3-isop

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CC(C)C1CCCC(=O)C1
• IUPAC Name: 3-propan-2-ylcyclohexan-1-one
• InChIKey: AFFBXUKVORMWSC-UHFFFAOYSA-N
• INCHI: 1S/C9H16O/c1-7(2)8-4-3-5-9(10)6-8/h7-8H,3-6H2,1-2H3
• Isomeri SMILES: CC(C)C1CCCC(=O)C1
• Peso molecolare: 140.227
• Reaxy-Rn: 1927715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927715&ln=

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

• Peso molecolare: 140.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 127.000
• 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

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 23396-36-3, the molecular formula is C9H16O, and the molecular weight is 140.227 g/mol. InChIKey AFFBXUKVORMWSC-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.