zingerone
 
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IUPAC name :4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI :InChI=1/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
InChIKey :OJYLAHXKWMRDGS-UHFFFAOYAN
SMILES :CC(=O)CCC1=CC(=C(C=C1)O)OC
(EINECS) number :204-548-3
cas number :122-48-5
beilstein number :2051099
fema number :3124
coe number :139
jecfa number :730
fl. number :07.005
molar refractivity :53.65 ± 0.3 cm3
parachor :440.1 ± 4.0 cm3
index of refraction :1.525 ± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.111 ± 0.06 g/cm3
polarizability :21.27 ± 0.5 10-24cm3
xlogp : 1.40
molecular weight : 194.2270600
formula :C11 H14 O3
BioActivity Analysis :79243
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Fontarome Chemical :ZINGERONE (VANILYL ACETONE)
 
Sigma-Aldrich-SAFC :Vanillylacetone
 ≥96%
 
 

organoleptics :
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
sweet spicy phenolic ginger vanilla woody
substantivity :337 hour(s) at 10.00 % in dipropylene glycol

properties :
appearence :yellow to yellow brown crystals
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.13800 - 1.13900 @ 25.00 °C.
pounds per gallon - calc. : 9.469 to 9.478
refractive index :1.54400 - 1.54500 @ 20.00 °C.
melting point : 40.00 - 41.00 °C. @ 760.00 mm Hg
boiling point : 141.00 - 0.50 °C. @ 0.00 mm Hg
boiling point : 290.00 °C. @ 760.00 mm Hg
logp : 1.31

safety :
Oral Toxicity(LD50) : Oral-Rat    2580.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :not determined
  
recommendation for zingerone usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for zingerone usage levels up to :
  80.0000 ppm in the flavor.
  

safety links :
(EINECS) number :204-548-3
rtecs :EL8900000 for 122-48-5
chemidplus :000122485
epa-srs :122-48-5
dtp/nci :15335
  

other :
 

references :
jecfa number :730
fl. number :07.005
pubchem :173243
NIST Chemistry WebBook :2271507821
  
synonyms :
 ginger ketone
 gingerone
4-hydroxy-3-methoxybenzyl acetone
2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone
4-(4-hydroxy-3-methoxyphenyl) butan-2-one
(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone
2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone
4-(4-hydroxy-3-methoxyphenyl)-2-butanone
4-hydroxy-3-methyoxyphenyl ethyl methyl ketone
3-methoxy-4-hydroxybenzyl acetone
4-(3-methoxy-4-hydroxyphenyl)-2-butanone
1-(3-methoxy-4-hydroxyphenyl)-3-butanone
 vanillyl acetone
 zingerone
 zingherone
 zingiberone
soluble in :
 ethyl alcohol, 1:1 in 50% alcohol
insoluble in :
 water
stability :
 no special storage precautions necessary
 non-discoloring
 stable in most media
(odor and/or flavor) blends with :
 allspice oil
isoamyl phenyl acetate
 amyris wood oil
(E)-anethol
para-anisyl alcohol
 atractylis root oil
 benzyl isobutyrate
 benzyl isoeugenol
 bergamot oil
 bois de rose oil
 caraway seed oil
 cassia bark oil
 citronellol
 clary sage oil
 clove bud oil
 coriander seed oil
 currant bud absolute black
 cyclohexyl ethyl alcohol
 dihydromyrcenol
para-alpha-dimethyl styrene
 dodecanol
 ethyl heptanoate
 ethyl vanillin
 fennel seed oil
 floral pyranol
 galangal root oil
 geraniol
 geranyl acetate
 ginger oleoresin
 ginger oleoresin
 ginger root absolute
 ginger root oil
 ginger root oil brazil
 ginger root oil CO2 extract
 ginger root oil CO2 extract australia
 ginger root oil cochin
 ginger root oil terpeneless africa
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
 hexyl tiglate
 hotrienol
2,4-ivy carbaldehyde
 jasmin absolute
 juniper berry oil
 lavender absolute
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl dihydrojasmonate
 methyl heptenone
 musks
 nerol
 neryl acetate
 nutmeg oil
 ocean propanal
 orange oil
 patchouli ethanone
 petitgrain oil
 phenethyl acetate
3-phenyl propyl alcohol
 pimento berry oil
 santall
 snake root oil
 spikenard oil
 spruce oil
 styralyl acetate
alpha-terpineol
 thioguaiacol
 tonka bean absolute
 turmeric oil
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 verymoss
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 allspice
 amber
 balsam
 butterscotch
 cassia
 christmas blends
 coconut
 cookie
 florida breeze
 gardenia
 ginger
 ginger ale
 ginger white ginger
 gingerbread
 herbal
 jasmin
 lychee soapberry
 modifier
 moss
 oriental
 pumpkin
 raspberry
 saffron
 snakeroot
 spice
 tropical
 vanilla
 woody
natural occurrence in :
ginger root
data pageginger root oil CO2 extract @ 2.26%
raspberry



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