EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

valerophenone
1-pentanone, 1-phenyl-

Supplier Sponsors

Name:1-phenylpentan-1-one
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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
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.
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)
 
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
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
 
References:
 1-phenylpentan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1009-14-9
Pubchem (cid):66093
Pubchem (sid):135025558
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
sabinene hydrate
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
benzyl cinnamate
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
butyl benzoate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl butyrate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
conifer acetate
FR
ethyl cinnamate
FL/FR
fir needle oil canada
FL/FR
fir needle oil terpeneless canada
FL/FR
guaiyl butyrate
FR
hemlock western oil (tsuga heterophylla) canada
FR
hexyl cinnamate
FR
juniper berry absolute
FL/FR
alpha-
methyl cinnamyl alcohol
FR
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
myrrh resinoid
FR
octyl benzoate
FR
phenyl salicylate
FR
prenyl benzoate
FL/FR
terpinyl butyrate
FL/FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
benzyl acetone
FL/FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellyl acetone
FL/FR
cyclohexyl salicylate
FR
dihydrogeranyl linalool
FR
floral undecenone
FR
beta-
ionol
FL/FR
phenethyl salicylate
FL/FR
1-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose absolute pentanol
FR
fruity
benzyl propionate
FL/FR
cyclohexyl crotonate
FR
3-
phenyl propyl isobutyrate
FL/FR
green
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
(-)-
bornyl isovalerate
FL/FR
canarium luzonicum gum
FL/FR
hop absolute
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
honey
methyl hydrocinnamate
FL/FR
spicy
amyl isoeugenol
FR
cinnamyl propionate
FL/FR
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
spicy acetoacetate
FL/FR
terpenic
elemi resinoid
FL/FR
pine needle oil dwarf
FL/FR
woody
iso
bornyl isovalerate
FL/FR
copaiba balsam
FL/FR
guaiacwood oil
FL/FR
alpha-
guaiene
FL/FR
gurjun balsam oil
FR
alpha-
gurjunene
FR
4-
hydroxybenzaldehyde
FL/FR
patchouli oil
FL/FR
sandal cyclopropane
FL/FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
spikenard oil
FL/FR
vetiverol
FL/FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
(-)-
bornyl isovalerate
FL/FR
butyl benzoate
FL/FR
citronellyl acetone
FL/FR
fir needle oil canada
FL/FR
alpha-
guaiene
FL/FR
methyl hydrocinnamate
FL/FR
3-
phenyl propyl propionate
FL/FR
prenyl benzoate
FL/FR
(E)-
sabinene hydrate
FL/FR
santalyl butyrate
FL/FR
spikenard oil
FL/FR
terpinyl butyrate
FL/FR
amber
amber
sandal cyclopropane
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
peru balsam
FL
1-
phenyl propyl alcohol
FL/FR
(Z,E)-
phytol
FL/FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
cinnamyl propionate
FL/FR
beta-
ionol
FL/FR
pseudo
ionone
FL
rose absolute (rosa centifolia) morocco
FL/FR
fruity
benzyl acetone
FL/FR
benzyl propionate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
canarium luzonicum gum
FL/FR
elemi resinoid
FL/FR
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
herbal
hop absolute
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
medicinal,
phenethyl salicylate
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
siam
benzoin absolute
FL/FR
benzyl cinnamate
FL/FR
cinnamyl cinnamate
FL/FR
cinnamyl formate
FL/FR
elettaria cardamomum seed oil
FL/FR
galangal root oleoresin
FL
nutmeg absolute
FL/FR
spicy acetoacetate
FL/FR
waxy
4-
phenyl-3-buten-2-ol
FL/FR
winey
cinnamyl butyrate
FL/FR
woody
iso
bornyl isovalerate
FL/FR
copaiba balsam
FL/FR
guaiacwood oil
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRbalsam
FRherbal
FRwoody
 
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:
 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
 

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.
 
Notes:
Found in celery
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