Identification

Namevalerophenone
IUPAC1-phenylpentan-1-one
CAS Number1009-14-9
EINECS213-767-3
FDA UNIIF27Q043NT1
Molecular FormulaC11 H14 O
Molecular Weight162.23178000
MDL NumberMFCD00009480
Nikkaji NumberJ30.878A
Beilstein1907717

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 SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for valerophenone usage levels up tonot for fragrance use.
Recommendation for valerophenone flavor usage levels up tonot for flavor use.

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Potential Uses

FR balsam FR herbal FR woody

Natural Occurrence

celery seed celery seed oil CO2 extract india @ 0.02% Data celery seed oil india @ 0.12% Data

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.