1-Cyclohexylacetone - ≥95% , CAS No.103-78-6

CAS: 103-78-6 Cat. No.: C478562 Summenformel: C₉H₁₆O Molekulargewicht: 140.23 EG-Nummer: 203-143-9

QUALITÄT & REINHEIT ≥95%

Synonyms

1-Cyclohexylacetone #|Cyclohexyl-2-propanone|1-Cyclohexyl-2-propanone|Cyclohexylacetone|2-Propanone, 1-cyclohexyl-|Acetonylcyclohexane|1-cyclohexyl-propan-2-one|1-cyclohexylpropan-2-one|Cyclohexylaceton|methyl cyclohexylmethyl ketone

Storage

Room temperature

Spezifikationen

Synonyme

1-Cyclohexylacetone # | Cyclohexyl-2-propanone | 1-Cyclohexyl-2-propanone | Cyclohexylacetone | 2-Propanone, 1-cyclohexyl- | Acetonylcyclohexane | 1-cyclohexyl-propan-2-one | 1-cyclohexylpropan-2-one | Cyclohexylaceton | methyl cyclohexylmethyl ketone

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488183871

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183871

Kanonisches Lächeln

CC(=O)CC1CCCCC1

IUPAC Name

1-cyclohexylpropan-2-one

InChIKey

UHBZEAPZATVYKV-UHFFFAOYSA-N

INCHI

1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3

Isomere SMILES

CC(=O)CC1CCCCC1

Molekulargewicht

140.23

Reaxy-Rn

1209723

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209723&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4525
• Siedepunkt (°C): 198 - 200 °C
• Molekulargewicht: 140.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 112.000
• 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