4-Isopropylcyclohexanone - ≥96% , CAS No.5432-85-9

CAS: 5432-85-9 Cat. No.: I138967 Formula: C₉H₁₆O Peso molecolare: 140.23 Numero EC: 226-592-2

GRADE & PURITY ≥96%

Synonyms

NSC 21125 | EINECS 226-592-2 | DTXSID7042063 | FT-0618840 | NSC21125 | NSC-21125 | Cyclohexanone, 4-isopropyl- | MFCD00043479 | ethyl m-bromobenzoate | B02SK72839 | EN300-61099 | JA8S3CU9U5 | SY029297 | 4-propan-2-ylcyclohexan-1-one | Cyclohexanone, 4-(1-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

NSC 21125 | EINECS 226-592-2 | DTXSID7042063 | FT-0618840 | NSC21125 | NSC-21125 | Cyclohexanone, 4-isopropyl- | MFCD00043479 | ethyl m-bromobenzoate | B02SK72839 | EN300-61099 | JA8S3CU9U5 | SY029297 | 4-propan-2-ylcyclohexan-1-one | Cyclohexanone, 4-(1-

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504755379

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755379

Sorrisi canonici

CC(C)C1CCC(=O)CC1

IUPAC Name

4-propan-2-ylcyclohexan-1-one

InChIKey

FPKISACHVIIMRA-UHFFFAOYSA-N

INCHI

1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3

Isomeri SMILES

CC(C)C1CCC(=O)CC1

Peso molecolare

140.23

Reaxy-Rn

1236952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236952&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

• Solubilità: Soluble in alcohol. Insoluble in water.
• Indice di rifrazione: 1.4580
• Punto di ebollizione (°C): 94-96°/17mm
• 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: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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?

This product is supplied at ≥96% purity (chemical assay). 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 5432-85-9, the molecular formula is C9H16O, and the molecular weight is 140.23 g/mol. InChIKey FPKISACHVIIMRA-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.