4-Propylcyclohexanone - ≥99% , CAS No.40649-36-3

CAS: 40649-36-3 Cat. No.: P115524 Formule: C₉H₁₆O Poids moléculaire: 140.22 Beilstein Registry Number: 2076023 Numéro CE: 406-810-4

QUALITÉ & PURETÉ ≥99%

Synonyms

AKOS000120239 | FT-0619442 | PS-5320 | 9735699W19 | Intexsan CTC 50 | Z57073962 | Cyclohexanone, 4-propyl- | Adogen 412 | NCGC00257308-01 | SY009654 | 4-Propylcyclohexanone | 4-propyl-cyclohexanone | EC 406-810-4 | DTXCID4028173 | EN300-17912 | Thiobis(2-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

AKOS000120239 | FT-0619442 | PS-5320 | 9735699W19 | Intexsan CTC 50 | Z57073962 | Cyclohexanone, 4-propyl- | Adogen 412 | NCGC00257308-01 | SY009654 | 4-Propylcyclohexanone | 4-propyl-cyclohexanone | EC 406-810-4 | DTXCID4028173 | EN300-17912 | Thiobis(2-

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488188143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188143

Sourires canoniques

CCCC1CCC(=O)CC1

IUPAC Name

4-propylcyclohexan-1-one

InChIKey

NQEDLIZOPMNZMC-UHFFFAOYSA-N

INCHI

1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3

Isomères SMILES

CCCC1CCC(=O)CC1

WGK Allemagne

1

Poids moléculaire

140.22

Beilstein

2076023

Reaxy-Rn

2076023

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076023&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: heat sensitive
• Indice de réfraction: 1.453
• Point d'éclair (°F): 186.8 °F
• Point d'éclair (°C): 86°
• Point d'ébullition (°C): 115°C
• Poids moléculaire: 140.220 g/mol
• XLogP3: 2.500
• 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: 108.000
• 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

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40649-36-3, the molecular formula is C9H16O, and the molecular weight is 140.22 g/mol. InChIKey NQEDLIZOPMNZMC-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥99% 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 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.