powdery ketone
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IUPAC name :1-(4-methoxyphenyl)pent-1-en-3-one
InChI :InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3
InChIKey :SLDQOBRACOQXGE-UHFFFAOYAG
SMILES :CCC(=O)C=CC1=CC=C(C=C1)OC
cas number :104-27-8
(EINECS) number :203-190-5
beilstein number :3197137
fema number :2673
coe number :164
jecfa number :826
fl. number :07.030
molar refractivity :58.11 ± 0.3 cm3
parachor :451.5 ± 4.0 cm3
index of refraction :1.542 ± 0.02
surface tension :35.8 ± 3.0 dyne/cm
density :1.030 ± 0.06 g/cm3
polarizability :23.03 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 190.2383600 (IUPAC)
formula :C12 H14 O2
NMR Predictor :Predict
 
 
IUPAC name :(E)-1-(4-methoxyphenyl)pent-1-en-3-one
InChI :InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+
InChIKey :SLDQOBRACOQXGE-QPJJXVBHBM
SMILES :CCC(=O)\C=C\C1=CC=C(C=C1)OC
cas number :104-27-8  (E)
molar refractivity :58.11 ± 0.3 cm3
parachor :451.5 ± 4.0 cm3
index of refraction :1.542 ± 0.02
surface tension :35.8 ± 3.0 dyne/cm
density :1.030 ± 0.06 g/cm3
polarizability :23.03 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 190.2383600 (IUPAC)
formula :C12 H14 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Fontarome :ETHONE 1-(P-METHOXYPHENYL)-1-PENTEN-3-ONE
Odor:  Odor similar to butter, sweet and lasting
Hofmen :Anisylidene butanone
99%
Penta :ethone
Vigon :Ethone
FCC
Odor:  SHARP, DRY, SLIGHTLY BUTTERY
organoleptics :
odor type :powdery
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		dry sweet powdery cherry fruity heliotrope almond anisic vanilla
Luebke, William tgsc, (2009)
odor sample from :Fontarome USA
odor description:
Sweet, powdery, cherry, vanilla, coumarin, heliotropine
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
taste description:
Sweet, powdery, vanilla, fruity, creamy
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
properties :
appearence :white to pale yellow crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 60.00 °C. @ 760.00 mm Hg
boiling point : 278.00 °C. @ 760.00 mm Hg
boiling point : 74.00 °C. @ 10.00 mm Hg
flash point : 304.00  °F.  TCC  ( 151.11 °C. )
logP (o/w) : 2.65
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5.00  gm/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5.00  gm/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
IFRA critical Effect :Sensitization
recommendation for powdery ketone fragrance usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for powdery ketone flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : alpha-Methyl anisylidene acetone )
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 
1-(4-methoxyphenyl)pent-1-en-3-one
(EINECS) number :203-190-5
chemidplus :000104278
EPA Substance Registry Services :104-27-8
dtp/nci :133448
 
(E)-1-(4-methoxyphenyl)pent-1-en-3-one
references :
 
1-(4-methoxyphenyl)pent-1-en-3-one
fl. number :07.030
jecfa number :826
pubchem :422451
 
(E)-1-(4-methoxyphenyl)pent-1-en-3-one
pubchem :197231
Cosmetics :
Cosmetic uses : not used anymore
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethone
1-(para-methoxyphenyl)-1-penten-3-one
1-(4-methoxyphenyl) pent-1-en-3-one
1-(4-methoxyphenyl)pent-1-en-3-one
para-methoxystyryl ethyl ketone
alpha-methyl anisylidene acetone
 powdery ketone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetanisoleFL/FR
 acetophenoneFL/FR
2-acetyl furanFL/FR
 acetyl methyl anthranilateFL/FR
 allspice oilFL/FR
 allyl 2-ethyl butyrateFL
 allyl benzoateFR
 allyl isovalerateFL/FR
 almond oil bitterFL/FR
 amber formateFR
 ambrette seed oilFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
 amyl isoeugenolFR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
(E)-anetholFL/FR
 animal carbolactoneFR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
 anise indeneFR
 anise oilFL/FR
 anise oleoresinFL
 anise seed oilFL/FR
 anise seed oil starFL/FR
 anise seed oil star terpenelessFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
para-anisyl propionateFL/FR
 anthocephalus cadamba oil 
 autumn carboxylateFR
 basil oilFL/FR
 beeswax absoluteFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde glycrol acetalFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 berry hexanoateFR
 blood orange oilFL/FR
 bread thiopheneFL/FR
isobutyl benzoateFL/FR
isobutyl cinnamateFL/FR
2-butyl-3-methyl pyrazineFL
 butyrophenoneFL/FR
 caramel furanoneFL
 cardamom seed oilFL/FR
 cassia bark oilFL/FR
 cherry oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl isovalerateFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clausena anisata hook. f. leaf oil 
 clove bud oilFL/FR
 clover nitrileFR
 cocoa butenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 copaiba balsam oilFL/FR
 costus valerolactoneFR
 coumarinFR
para-cresyl propionaldehydeCS
 cyclohexadecanoneFR
 cyclohexyl acetic acidFL
 cyclohexyl cinnamateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl formateFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 deertongue absoluteFR
 dehydro-ar-ionene 
 dihydroanetholFL/FR
 dihydrojasmoneFL/FR
 dimethyl alpha-iononeFR
 dimethyl anthranilateFL/FR
2,4-dimethyl benzaldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl 2-phenyl-3-furoateFL/FR
4-ethyl anisoleFL
 ethyl benzoyl acetateFL
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl para-anisateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl sorbateFL/FR
 ethyl vanillinFL/FR
 ethylene brassylateFL/FR
isoeugenyl acetateFL/FR
 fennel absolute sweetFL/FR
 fennel flower oil bitter lithuania 
 fennel oleoresin sweetFL/FR
 fennel seed oil bitter lithuaniaCS
 fir balsam absoluteFR
 floral nitrileFR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hawthorn acetateFR
 hay absoluteFR
 heliotrope absoluteFR
 heliotropinFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl alcoholFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
 heptyl isobutyrateFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl isovalerateFL/FR
 hyacinth etherFR
2'-hydroxyacetophenoneFL/FR
 hydroxycitronellalFL/FR
 immortelle absoluteFL/FR
 indoleFL/FR
(E)-beta-iononeFL/FR
 ionones 
alpha-ironeFL/FR
 labdanum resinoidFR
 lavender absoluteFL/FR
 linalool oxideFL/FR
 maltolFL/FR
2'-methoxyacetophenoneFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
 methyl (E)-cinnamateFL/FR
 methyl acetophenoneFL/FR
 methyl alpha-iononeFL/FR
para-methyl anisoleFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
6-methyl coumarinFL
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl furfuracrylateFL
para-methyl hydratropaldehydeFL/FR
iso-alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl ionones 
 methyl ionyl acetateFL/FR
 methyl isoeugenolFL/FR
3-methyl-2-buten-1-alFL/FR
 mint lactoneFL/FR
dextro,laevo-musconeFL/FR
normusconeFR
 musk amberolFR
 musk indaneFR
 musk tetralinFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
gamma-nonalactoneFL/FR
 nutty cyclohexenoneFL/FR
gamma-octalactoneFL/FR
 orris pyridineFR
 orris root resinoidFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peach pivalateFR
omega-pentadecalactoneFL/FR
 peony alcoholFR
laevo-perillaldehydeFL/FR
 peru balsam oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetic acidFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
4-phenyl-2-butanolFL/FR
 phthalideFL/FR
 prenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absoluteFL/FR
 rose butanoateFL/FR
 santallFR
(+)-alpha-santalyl acetateFL/FR
 sassafras acetateFR
 strawberry furanoneFL/FR
alpha-terpineolFL/FR
 thioguaiacolFL
(E)-tiglic aldehydeFL/FR
 timber propanolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
 tolualdehydes (mixed o/m/p)FL/FR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
 tonka bean absoluteFR
2,3,5-trimethyl pyrazineFL
2,5,9-trimethyl-4,9-decadien-1-alFR
 tuberose absoluteFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
10-undecen-1-yl acetateFL/FR
 vanilla absoluteFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillylidene acetoneFL/FR
 verymossFR
 vetiveryl acetateFL/FR
 watermelon ketoneFR
 woody acetateFR
 woody epoxideFR
 woody propanolFR
potential uses :
 almond
 berry
 butter
 butterscotch
 cherry
 cream
 maple
 vanilla
natural occurrence in :    note
 not found in nature  

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