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valerophenone

Chemical Structure

General Material Information

Preferred name valerophenone
Trivial Name Valerophenone
Short Description 1-pentanone, 1-phenyl-
Formula C11 H14 O
CAS Number 1009-14-9
ECHA Number 213-767-3
FDA UNII F27Q043NT1
Nikkaji Number J30.878A
Beilstein Number 1907717
MDL MFCD00009480
xLogP3-AA 3.00 (est)
NMR Predictor External link
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
  • 1-phenylpentan-1-one
  • 1-Pentanone, 1-phenyl-
  • 1-Phenyl-1-pentanone
  • n-Butyl phenyl ketone
  • n-Valerophenone
  • NSC 58959

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Literature & References

1-phenylpentan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1009-14-9
Pubchem (cid):66093
Pubchem (sid):135025558
Publications by PubMed
Acylphloroglucinol biosynthesis in strawberry fruit.
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.
Mass transport of small retained molecules in polymer-based monolithic columns.
Transformation of iso-pentylbenzene by a biofilm-forming strain of Candida viswanathii TH1 isolated from oil-polluted sediments collected in coastal zones in Vietnam.
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.
Very high pressure liquid chromatography using fully porous particles: quantitative analysis of fast gradient separations without post-run times.
Toxicity and death following recreational use of 2-pyrrolidino valerophenone.
Characterization of the formation of branched short-chain fatty acid:CoAs for bitter acid biosynthesis in hop glandular trichomes.
[Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS].
Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach.
Chemical composition, antioxidant activity and larvicidal effects of essential oil from leaves of Apium graveolens.
Photochemistry of 2-diphenylmethoxyacetophenone. Direct detection of a long-lived enol from a Norrish Type II photoreaction.
Photochemical behavior of cyclopropyl-substituted benzophenones and valerophenones.
Chemistry of small organic molecules on snow grains: the applicability of artificial snow for environmental studies.
The reactivity of the 1,4-biradical formed by Norrish type reactions of aqueous valerophenone: a QM/MM-based FEP study.
An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration.
Cloning and molecular analysis of HlbZip1 and HlbZip2 transcription factors putatively involved in the regulation of the lupulin metabolome in hop (Humulus lupulus L.).
Solvent effects on photoreactivity of valerophenone: a combined QM and MM study.
DNA sequence and expression variation of hop (Humulus lupulus) valerophenone synthase (VPS), a key gene in bitter acid biosynthesis.
Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.
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.
Photodegradation of organic pollutants on the spruce needle wax surface under laboratory conditions.
Enzymatic reactions by five chalcone synthase homologs from hop (Humulus lupulus L.).
Cloning and over-expression of a cDNA encoding a polyketide synthase from Cannabis sativa.
Construction of gene expression system in hop (Humulus lupulus) lupulin gland using valerophenone synthase promoter.
Cloning and analysis of valerophenone synthase gene expressed specifically in lupulin gland of hop (Humulus lupulus L.).
4-Hydroxy-2-pyrone formation by chalcone and stilbene synthase with nonphysiological substrates.
Ipomeanol analogs as chemopreventive agents: effect on the in vitro metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK).
Synthesis of 4'-iodo-5-methoxy-valerophenone O-(2-aminoethyl)oxime as an agent for exploration of serotoninergic transporter.
Inhibition of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone pulmonary metabolism and tumorigenicity in mice by analogues of the investigational chemotherapeutic drug 4-ipomeanol.
Fluvoxamine, a new antidepressant drug, fails to show antiserotonin activity.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31208
FooDB:FDB003231
Export Tariff Code:2914.70.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 162.23178100586
Specific gravity @ 20 °C
Pounds per Gallon 8.114 to 8.131
Refractive Index 1.514 to 1.516 @ 20 °C
Melting Point -10 to -7°C @ 760 mm Hg
Boiling Point 105 to 107°C @ 5 mm Hg
Vapor Pressure 0.024 mmHg @ 25 °C
Flash Point TCC Value 102.22 °C TCC
logP (o/w) 3.202 est
Solubility
alcohol Yes
water, 137.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
balsamic, valerian root
General comment At 100.00 %. balsam valerian

Occurrences

Potential Uses

Applications
Odor purposes Balsam, Herbal, Woody

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

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.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1009-14-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66093
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-phenylpentan-1-one
Chemidplus:0001009149