valerophenone
1-pentanone, 1-phenyl-
Identification
| Name | valerophenone |
| IUPAC | 1-phenylpentan-1-one |
| CAS Number | 1009-14-9 |
| EINECS | 213-767-3 |
| FDA UNII | F27Q043NT1 |
| Molecular Formula | C11 H14 O |
| Molecular Weight | 162.23178000 |
| MDL Number | MFCD00009480 |
| Nikkaji Number | J30.878A |
| Beilstein | 1907717 |
Regulatory
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97400 to 0.97600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.114 to 8.131 |
| Refractive Index | 1.51400 to 1.51600 @ 20.00 °C. |
| Melting Point | -10.00 to -7.00 °C. @ 760.00 mm Hg |
| Boiling Point | 245.00 °C. @ 760.00 mm Hg, 105.00 to 107.00 °C. @ 5.00 mm Hg |
| Vapor Pressure | 0.024000 mmHg @ 25.00 °C. (est) |
| Flash Point | 216.00 °F. TCC ( 102.22 °C. ) |
| logP (o/w) | 3.202 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for valerophenone usage levels up to | not for fragrance use. |
| Recommendation for valerophenone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
butyl phenyl ketone
N-
butyl phenyl ketone
1-
pentanone, 1-phenyl-
pentanophenone
phenyl butyl ketone
1-
phenyl pentan-1-one
phenyl pentanone
1-
phenyl-1-pentanone
1-
phenylpentan-1-one
2-
propylacetophenone
PubMed:
Acylphloroglucinol biosynthesis in strawberry fruit.
PubMed:
The quantitative impact of the mesopore size on the mass transfer mechanism of the new 1.9 μm fully porous Titan-C18 particles II--analysis of biomolecules.
PubMed:
Mass transport of small retained molecules in polymer-based monolithic columns.
PubMed:
Transformation of iso-pentylbenzene by a biofilm-forming strain of Candida viswanathii TH1 isolated from oil-polluted sediments collected in coastal zones in Vietnam.
PubMed:
Forensic investigation of K2, Spice, and "bath salt" commercial preparations: a three-year study of new designer drug products containing synthetic cannabinoid, stimulant, and hallucinogenic compounds.
PubMed:
Very high pressure liquid chromatography using fully porous particles: quantitative analysis of fast gradient separations without post-run times.
PubMed:
Toxicity and death following recreational use of 2-pyrrolidino valerophenone.
PubMed:
Characterization of the formation of branched short-chain fatty acid:CoAs for bitter acid biosynthesis in hop glandular trichomes.
PubMed:
[Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS].
PubMed:
Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach.
PubMed:
Chemical composition, antioxidant activity and larvicidal effects of essential oil from leaves of Apium graveolens.
PubMed:
Photochemistry of 2-diphenylmethoxyacetophenone. Direct detection of a long-lived enol from a Norrish Type II photoreaction.
PubMed:
Photochemical behavior of cyclopropyl-substituted benzophenones and valerophenones.
PubMed:
Chemistry of small organic molecules on snow grains: the applicability of artificial snow for environmental studies.
PubMed:
The reactivity of the 1,4-biradical formed by Norrish type reactions of aqueous valerophenone: a QM/MM-based FEP study.
PubMed:
An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration.
PubMed:
Cloning and molecular analysis of HlbZip1 and HlbZip2 transcription factors putatively involved in the regulation of the lupulin metabolome in hop (Humulus lupulus L.).
PubMed:
Solvent effects on photoreactivity of valerophenone: a combined QM and MM study.
PubMed:
DNA sequence and expression variation of hop (Humulus lupulus) valerophenone synthase (VPS), a key gene in bitter acid biosynthesis.
PubMed:
Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.
PubMed:
Methyl chloroacetate as an extraction solvent for coupling liquid-liquid semimicroextraction with micellar electrokinetic chromatography through on-capillary decomposition for the separation of neutral compounds with concentration enhancement.
PubMed:
Photodegradation of organic pollutants on the spruce needle wax surface under laboratory conditions.
PubMed:
Enzymatic reactions by five chalcone synthase homologs from hop (Humulus lupulus L.).
PubMed:
Cloning and over-expression of a cDNA encoding a polyketide synthase from Cannabis sativa.
PubMed:
Construction of gene expression system in hop (Humulus lupulus) lupulin gland using valerophenone synthase promoter.
PubMed:
Cloning and analysis of valerophenone synthase gene expressed specifically in lupulin gland of hop (Humulus lupulus L.).
PubMed:
4-Hydroxy-2-pyrone formation by chalcone and stilbene synthase with nonphysiological substrates.
PubMed:
Ipomeanol analogs as chemopreventive agents: effect on the in vitro metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK).
PubMed:
Synthesis of 4'-iodo-5-methoxy-valerophenone O-(2-aminoethyl)oxime as an agent for exploration of serotoninergic transporter.
PubMed:
Inhibition of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone pulmonary metabolism and tumorigenicity in mice by analogues of the investigational chemotherapeutic drug 4-ipomeanol.
PubMed:
Fluvoxamine, a new antidepressant drug, fails to show antiserotonin activity.