4'-Propylacetophenone - ≥95%(GC) , CAS No.2932-65-2

CAS: 2932-65-2 Cat. No.: P138618 Formule: C₁₁H₁₄O Poids moléculaire: 162.23 Beilstein Registry Number: 7(3)1132 Numéro CE: 220-903-5 PubChem CID: 76236

QUALITÉ & PURETÉ ≥95%(GC)

Synonyms

NSC172873 | NSC-172873 | 7B7O2R5Q9A | A819871 | 4 inverted exclamation mark -Propylacetophenone | MFCD00041359 | EN300-21174 | STR02386 | 1-(4-Propylphenyl)ethan-1-one | EINECS 220-903-5 | N,N-Dimethyldecylamine-N-oxide | SCHEMBL1483217 | 4'-Propylacetoph

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

NSC172873 | NSC-172873 | 7B7O2R5Q9A | A819871 | 4 inverted exclamation mark -Propylacetophenone | MFCD00041359 | EN300-21174 | STR02386 | 1-(4-Propylphenyl)ethan-1-one | EINECS 220-903-5 | N,N-Dimethyldecylamine-N-oxide | SCHEMBL1483217 | 4'-Propylacetoph

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

488185229

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185229

Sourires canoniques

CCCC1=CC=C(C=C1)C(=O)C

IUPAC Name

1-(4-propylphenyl)ethanone

InChIKey

ZNBVIYMIVFKTIW-UHFFFAOYSA-N

INCHI

1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3

Isomères SMILES

CCCC1=CC=C(C=C1)C(=O)C

PubChem CID

76236

Poids moléculaire

162.23

Beilstein

7(3)1132

Reaxy-Rn

1858604

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Point d'éclair (°C): 103 °C
• Point d'ébullition (°C): 115 °C/5.3 mmHg
• Poids moléculaire: 162.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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