Valerophenone

Valerophenone Basic information
Product Name:Valerophenone
Synonyms:Valerophenone 99%;Valerophenone, 98% 25GR;NSC 58959;n-Valerophenone;Butyl Phenyl Ketone Pentanophenone;1-PHENYL-1-PENTANONE;Valerophenone≥ 99% (GC);Butyl phenyl ketone Pentanophenone 1-Phenyl-1-pentanone
CAS:1009-14-9
MF:C11H14O
MW:162.23
EINECS:213-767-3
Product Categories:Others ,Azetidines;Building Blocks;C11 to C12;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;1009-14-9
Mol File:1009-14-9.mol
Valerophenone Structure
Valerophenone Chemical Properties
Melting point -9 °C
Boiling point 244-245 °C (lit.)
density 0.975 g/mL at 20 °C (lit.)
refractive index n20/D 1.5143(lit.)
Fp 217 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), Ethyl Acetate (Slightly)
form Liquid
color Clear light yellow to yellow-green
Specific Gravity0.98
Odorat 100.00 %. balsam valerian
Odor Typebalsamic
Water Solubility Insoluble in water.
BRN 1907717
Stability:Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics.
InChIKeyXKGLSKVNOSHTAD-UHFFFAOYSA-N
LogP2.79
CAS DataBase Reference1009-14-9(CAS DataBase Reference)
NIST Chemistry Reference1-Pentanone, 1-phenyl-(1009-14-9)
EPA Substance Registry System1-Pentanone, 1-phenyl- (1009-14-9)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 22-24/25-36-26
WGK Germany 3
TSCA Yes
HS Code 29143990
MSDS Information
ProviderLanguage
1-Phenyl-1-pentanone English
SigmaAldrich English
ACROS English
ALFA English
Valerophenone Usage And Synthesis
Chemical PropertiesValerophenone is a colorless to Light yellow to Light orange clear liquid that is soluble in organic solvents.
UsesValerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.
DefinitionChEBI: Valerophenone is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has a role as a volatile oil component and a plant metabolite.
ApplicationValerophenone is a prochiral ketone which can undergo Norrish Type II reaction and hence can be used as a UV actinometer in photochemical experiments.
Synthesis Reference(s)The Journal of Organic Chemistry, 42, p. 1194, 1977 DOI: 10.1021/jo00427a020
Tetrahedron Letters, 30, p. 1773, 1989 DOI: 10.1016/S0040-4039(00)99576-5
SynthesisValerophenone is prepared from benzene and valeryl chloride by friedel-crafts reaction or from methyl benzoate by the Grignard reaction.
Properties and Applications1-Phenyl-1-pentanone, also known as butyl phenyl ketone or pentanophenone, 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. 1-Phenyl-1-pentanone is a balsam and valerian tasting compound. 1-Phenyl-1-pentanone has been detected, but not quantified in, a few different foods, such as celery stalks (Apium graveolens var. dulce), green vegetables, and wild celeries (Apium graveolens). This could make 1-phenyl-1-pentanone a potential biomarker for the consumption of these foods.
1,3-Acetonedicarboxylic acid Valerophenone PHENYL RESIN Phenylacetone Diphenyl ether 4-Nitroacetophenone Acetophenone Benzophenone PHENYL VALERATE 4'-Hydroxyacetophenone 4'-Hydroxyvalerophenone Benzil METHOXYPHENONE Cyclopentanone Tetraphenylcyclopentadienone Oxybenzone Phenyl salicylate Phenylacetic acid

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