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· · COA & SDS available for every product · Same-day shipping on in-stock items Valerophenone - ≥98% , CAS No.1009-14-9
Synonyms
SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0
Overview Valerophenone is a prochiral ketone which can undergo Norrish Type II reaction and hence can be used as a UV actinometer in photochemical experiments.
Specifications Synonyms
SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754036
Canonical Smiles
CCCCC(=O)C1=CC=CC=C1
IUPAC Name
1-phenylpentan-1-one
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
INCHI
1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
Isomeric SMILES
CCCCC(=O)C1=CC=CC=C1
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - 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 aromatic ketone 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.
3D Structure Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water. x_refractive_index 1.5143 x_flash_point_drop_fahrenheit 215.6 °F x_flash_point_drop_centigrade 102 °C x_boil_point_char 244-245°C x_melt_point_char -9°C Molecular Weight 162.230 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 4 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 134.000 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
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