powdery ketone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :203-190-5
cas number :104-27-8
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
formula :C12 H14 O2
 
 
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
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
formula :C12 H14 O2
 
 
fda reg :unspecified h. number :unspecified
 
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 almond vanillin vanitrope coumarin anisic heliotropine
properties : 
appearence :white to pale yellow crystals
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 60.00 °C. @ 760.00 mm Hg
boiling point : 278.00 °C. @ 12.00 mm Hg
logp : 2.65
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 304.00  °F.  TCC  ( 151.11 °C. )
  
IFRA critical Effect :Sensitization
recommendation for powdery ketone usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
  
recommendation for powdery ketone usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-190-5
chemidplus :104-27-8
epa-srs :104-27-8
dtp/nci :133448
  
chemidplus :000104278
epa-srs :104-27-8
  
ifra :ifra - ( Found under : alpha-Methylanisylidene acetone )
other : 
 
references : 
jecfa number :826
fl. number :07.030
pubchem :422451
  
pubchem :197231
  
synonyms :
 ethone
1-(4-methoxyphenyl) pent-1-en-3-one
1-(para-methoxyphenyl)-1-penten-3-one
para-methoxystyryl ethyl ketone
alpha-methyl anisylidene acetone
 powdery ketone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetanisole
 acetophenone
2-acetyl furan
 acetyl methyl anthranilate
 allspice oil
 allyl 2-ethyl butyrate
 allyl benzoate
 allyl isovalerate
 almond oil bitter
 amber formate
 ambrette seed oil
isoamyl 2-methyl butyrate
isoamyl benzoate
 amyl butyrate
alpha-amyl cinnamaldehyde
 amyl furoate
 amyl isoeugenol
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
(E)-anethol
 animal carbolactone
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
 anise indene
 anise oil
 anise oleoresin
 anise seed oil
 anise seed oil star
 anise seed oil star terpeneless
para-anisyl acetate
para-anisyl alcohol
para-anisyl methyl ketone
para-anisyl phenyl acetate
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
para-anisyl propionate
 anthocephalus cadamba oil
 autumn carboxylate
 basil oil
 beeswax absolute
 benzaldehyde
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde glycrol acetal
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 berry hexanoate
 blood orange oil
 bread thiophene
isobutyl benzoate
isobutyl cinnamate
2-butyl-3-methyl pyrazine
 butyrophenone
 caramel furanone
 cardamom seed oil
 cassia bark oil
 cherry oxyacetate
 cherry pentenoate
 cherry propanol
 cinnamyl alcohol
 cinnamyl isovalerate
 citronellol
 clary sage oil
 clausena anisata hook. f. leaf oil
 clove bud oil
 clover nitrile
 cocoa butenal
 cocoa oleoresin
 cocoa pentenal
 copaiba balsam oil
 costus valerolactone
 coumarin
para-cresyl propionaldehyde
 cyclohexadecanone
 cyclohexyl acetic acid
 cyclohexyl cinnamate
 cyclohexyl ethyl alcohol
 cyclohexyl formate
alpha-damascone
beta-damascone
gamma-decalactone
 decanal
 decanol
 decyl acetate
 deertongue absolute
 dehydro-ar-ionene
 dihydroanethol
 dihydrojasmone
 dimethyl alpha-ionone
 dimethyl anthranilate
2,4-dimethyl benzaldehyde
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dodecanal
 dodecanol
 ethyl 2-phenyl-3-furoate
4-ethyl anisole
 ethyl benzoyl acetate
 ethyl cinnamate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl para-anisate
 ethyl phenyl acetate
 ethyl sorbate
 ethyl vanillin
 ethylene brassylate
isoeugenyl acetate
 fennel absolute sweet
 fennel flower oil bitter lithuania
 fennel oleoresin sweet
 fennel seed oil bitter lithuania
 fir balsam absolute
 floral nitrile
 floral pyranol
 frankincense oil
 geraniol
(E)-geranyl acetone
 geranyl phenyl acetate
 guaiacwood oil
 gurjun balsam oil
 hawthorn acetate
 hay absolute
 heliotrope absolute
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl alcohol
 heliotropyl diethyl acetal
gamma-heptalactone
 heptyl isobutyrate
gamma-hexalactone
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl propionate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 hyacinth ether
2'-hydroxyacetophenone
 hydroxycitronellal
 immortelle absolute
 indole
(E)-beta-ionone
 ionones
alpha-irone
 labdanum resinoid
 lavender absolute
 linalool oxide
 maltol
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
 methyl (E)-cinnamate
 methyl acetophenone
 methyl alpha-ionone
para-methyl anisole
alpha-methyl cinnamaldehyde
 methyl cinnamate
6-methyl coumarin
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl furfuracrylate
para-methyl hydratropaldehyde
iso-alpha-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionones
 methyl ionyl acetate
 methyl isoeugenol
3-methyl-2-buten-1-al
 mint lactone
dextro,laevo-muscone
normuscone
 musk amberol
 musk indane
 musk tetralin
 musks
 myrrh oil
beta-naphthyl ethyl ether
 neroli oil
 nerolidol
gamma-nonalactone
 nutty cyclohexenone
gamma-octalactone
 orris pyridine
 orris root resinoid
 patchouli ethanone
 patchouli oil
 peach pivalate
omega-pentadecalactone
 peony alcohol
laevo-perillaldehyde
 peru balsam oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenoxyethyl isobutyrate
 phenyl acetic acid
3-phenyl propionaldehyde
3-phenyl propyl alcohol
4-phenyl-2-butanol
 phthalide
 prenyl acetate
isopropyl phenyl acetate
 raspberry ketone
 raspberry ketone methyl ether
 rhodinol
 rhodinyl phenyl acetate
 rose absolute
 rose butanoate
 santall
(+)-alpha-santalyl acetate
 sassafras acetate
 strawberry furanone
alpha-terpineol
 thioguaiacol
(E)-tiglic aldehyde
 timber propanol
 tobacco dodecane
 tolu balsam
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
 tonka bean absolute
2,3,5-trimethyl pyrazine
2,5,9-trimethyl-4,9-decadien-1-al
 tuberose absolute
gamma-undecalactone
10-undecen-1-al
10-undecen-1-yl acetate
 vanilla absolute
 vanillic acid
 vanillin
 vanillyl acetate
 vanillylidene acetone
 verymoss
 vetiveryl acetate
 watermelon ketone
 woody acetate
 woody epoxide
 woody propanol
(odor and/or flavor) used in :
 almond
 berry
 butter
 butterscotch
 cherry
 cream
 maple
 vanilla
natural occurrence in :
not found in nature



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