valerophenone
1-pentanone, 1-phenyl-
 
Notes:
Found in celery
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      1009-14-9 Valerophenone > 95%
      Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is also an inhibitor of the enzyme carbonyl reductase.
       
       
  • Glentham Life Sciences
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      V0009 Valerophenone >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 1009-14-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 213-767-3
FDA UNII: F27Q043NT1
Nikkaji Web: J30.878A
Beilstein Number: 1907717
MDL: MFCD00009480
XlogP3-AA: 3.00 (est)
Molecular Weight: 162.23178000
Formula: C11 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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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
Boiling Point: 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
 water, 137.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: balsamic
 
Odor Strength: medium
 
 balsamic  valerian root  
Odor Description:
at 100.00 %. 
balsam valerian
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Valerophenone > 95%
Odor: characteristic
Use: Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is also an inhibitor of the enzyme carbonyl reductase.
Glentham Life Sciences
Valerophenone
Santa Cruz Biotechnology
For experimental / research use only.
Valerophenone ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Valerophenone 99%
TCI AMERICA
For experimental / research use only.
Valerophenone >98.0%(GC)
Synonyms   Articles   Notes   Search   Top
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
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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.
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Safety References:
EPI System: View
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
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References:
 1-phenylpentan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1009-14-9
Pubchem (cid): 66093
Pubchem (sid): 135025558
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-sabinene hydrateFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin absoluteFL/FR
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
1-benzoyl acetoneFL/FR
 benzyl cinnamateFL/FR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl formateFL/FR
 conifer acetateFR
 ethyl cinnamateFL/FR
 fir needle oil canadaFL/FR
 fir needle oil terpeneless canadaFL/FR
 guaiyl butyrateFR
 hemlock western oil (tsuga heterophylla) canadaFR
 hexyl cinnamateFR
 juniper berry absoluteFL/FR
alpha-methyl cinnamyl alcoholFR
 methyl hydrogenated rosinateFR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 myrrh resinoidFR
 octyl benzoateFR
 phenyl salicylateFR
 prenyl benzoateFL/FR
 terpinyl butyrateFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFL/FR
floral
alpha-amyl cinnamyl acetateFL/FR
 benzyl acetoneFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 citronellyl acetoneFL/FR
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 floral undecenoneFR
beta-ionolFL/FR
 phenethyl salicylateFL/FR
1-phenyl propyl alcoholFL/FR
3-phenyl propyl propionateFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose absolute pentanolFR
fruity
 benzyl propionateFL/FR
 cyclohexyl crotonateFR
3-phenyl propyl isobutyrateFL/FR
green
 galbanum absoluteFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
(-)-bornyl isovalerateFL/FR
 canarium luzonicum gumFL/FR
 hop absoluteFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
honey
 methyl hydrocinnamateFL/FR
spicy
 amyl isoeugenolFR
 cinnamyl propionateFL/FR
 elettaria cardamomum seed oilFL/FR
 nutmeg absoluteFL/FR
(E)-propyl 2-furan acrylateFL/FR
 spicy acetoacetateFL/FR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
woody
isobornyl isovalerateFL/FR
 copaiba balsamFL/FR
 guaiacwood oilFL/FR
alpha-guaieneFL/FR
 gurjun balsam oilFR
alpha-gurjuneneFR
4-hydroxybenzaldehydeFL/FR
 patchouli oilFL/FR
 sandal cyclopropaneFL/FR
 sandalwood oilFL/FR
 sandalwood oil west australia (santalum spicatum)FR
 santalyl butyrateFL/FR
 spikenard oilFL/FR
 vetiverolFL/FR
 
For Flavor
 
No flavor group found for these
1-benzoyl acetoneFL/FR
(-)-bornyl isovalerateFL/FR
 butyl benzoateFL/FR
 citronellyl acetoneFL/FR
 fir needle oil canadaFL/FR
alpha-guaieneFL/FR
 methyl hydrocinnamateFL/FR
3-phenyl propyl propionateFL/FR
 prenyl benzoateFL/FR
(E)-sabinene hydrateFL/FR
 santalyl butyrateFL/FR
 spikenard oilFL/FR
amber
 sandal cyclopropaneFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 fir needle oil terpeneless canadaFL/FR
 juniper berry absoluteFL/FR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 peru balsamFL
1-phenyl propyl alcoholFL/FR
(Z,E)-phytolFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cinnamyl propionateFL/FR
beta-ionolFL/FR
pseudoiononeFL
 rose absolute (rosa centifolia) moroccoFL/FR
 terpinyl butyrateFL/FR
fruity
 benzyl acetoneFL/FR
 benzyl propionateFL/FR
3-phenyl propyl isobutyrateFL/FR
(E)-propyl 2-furan acrylateFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
 canarium luzonicum gumFL/FR
 elemi resinoidFL/FR
 galbanum absoluteFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
herbal
 hop absoluteFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
medicinal,
 phenethyl salicylateFL/FR
pine
 pine needle oil dwarfFL/FR
spicy
siam benzoin absoluteFL/FR
 benzyl cinnamateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl formateFL/FR
 elettaria cardamomum seed oilFL/FR
 galangal root oleoresinFL
 nutmeg absoluteFL/FR
 spicy acetoacetateFL/FR
waxy
4-phenyl-3-buten-2-olFL/FR
winey
 cinnamyl butyrateFL/FR
woody
isobornyl isovalerateFL/FR
 copaiba balsamFL/FR
 guaiacwood oilFL/FR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 vetiverolFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 balsamFR
 herbalFR
 woodyFR
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Occurrence (nature, food, other): note
 celery seed
Search Trop  Picture
 celery seed oil CO2 extract india @ 0.02%
Data  GC  Search Trop  Picture
 celery seed oil india @ 0.12%
Data  GC  Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Articles:
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.
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