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HomeProduct name listValerophenone

Valerophenone

Synonym(s):Butyl phenyl ketone

  • CAS NO.:1009-14-9
  • Empirical Formula: C11H14O
  • Molecular Weight: 162.23
  • MDL number: MFCD00009480
  • EINECS: 213-767-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
Valerophenone Structural

What is Valerophenone?

Chemical properties

Valerophenone is a colorless to Light yellow to Light orange clear liquid that is soluble in organic solvents.

The Uses of Valerophenone

Valerophenone 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.

Definition

ChEBI: 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.

What are the applications of Application

Valerophenone 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

Synthesis

Valerophenone is prepared from benzene and valeryl chloride by friedel-crafts reaction or from methyl benzoate by the Grignard reaction.

Properties and Applications

1-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.

Properties of Valerophenone

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.)
Flash point: 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 Gravity 0.98
Odor at 100.00 %. balsam valerian
Water Solubility  Insoluble in water.
BRN  1907717
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics.
CAS DataBase Reference 1009-14-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Pentanone, 1-phenyl-(1009-14-9)
EPA Substance Registry System 1-Pentanone, 1-phenyl- (1009-14-9)

Safety information for Valerophenone

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Valerophenone

InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N

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