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
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 | n |
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) |
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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