virginione
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one
InChI :InChI=1/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+
InChIKey :PQDRXUSSKFWCFA-SOFGYWHQBG
SMILES :CC(C)C(CCC(=O)C)\C=C\C(=C)C
(EINECS) number :218-907-7
cas number :2278-53-7
fema number :4331
jecfa number :1840
fl. number :07.239
molar refractivity :61.84 ± 0.3 cm3
parachor :521.5 ± 4.0 cm3
index of refraction :1.451 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.846 ± 0.06 g/cm3
polarizability :24.51 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 194.3131800
formula :C13 H22 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 
organoleptics :
odor description :
fruity melon
properties :
appearence :pale yellow to yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84600 - 0.85200 @ 25.00 °C.
pounds per gallon - calc. : 7.040 to 7.089
refractive index :1.47100 - 1.47700 @ 20.00 °C.
boiling point : 237.00 - 238.00 °C. @ 760.00 mm Hg
logp : 3.90
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 205.00  °F.  TCC  ( 96.11 °C. )
  
recommendation for virginione usage levels up to :
  0.0200 % in the fragrance concentrate.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 23.
4331 average usual ppmaverage maximum ppm
baked goods : 0.100000.50000
beverages(nonalcoholic) : 1.000005.00000
beverages(alcoholic) : 1.000005.00000
breakfast cereal : --
cheese : 0.010000.05000
chewing gum : --
condiments / relishes : 0.010000.05000
confectionery froastings : 1.000005.00000
egg products : --
fats / oils : --
fish products : 0.010000.05000
frozen dairy : 0.010000.05000
fruit ices : 0.100000.50000
gelatins / puddings : 0.010000.05000
granulated sugar : --
gravies : 0.010000.05000
hard candy : --
imitation dairy : 0.010000.05000
instant coffee / tea : --
jams / jellies : --
meat products : 0.010000.05000
milk products : 0.010000.05000
nut products : --
other grains : --
poultry : 0.010000.05000
processed fruits : 0.010000.05000
processed vegetables : 0.010000.05000
reconstituted vegetables : --
seasonings / flavors : 0.010000.05000
snack foods : 0.010000.05000
soft candy : --
soups : 0.010000.05000
sugar substitutes : --
sweet sauces : 0.010000.05000
safety links :
(EINECS) number :218-907-7
chemidplus :002278537
epa-srs :2278-53-7
  
other :
 
references :
jecfa number :1840
fl. number :07.239
pubchem :680264
  
synonyms :
(theta-(E))-8-methyl-5-(1-methyl ethyl)-6,8-nonadien-2-one
(theta-(E))-8-methyl-5-(1-methylethyl)-6,8-nonadien-2-one
(R-(E))-5-isopropyl-8-methyl nona-6,8-dien-2-one
(+/-)-[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
(R-(E))-5-isopropyl-8-methylnona-6,8-dien-2-one
 virginione
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 butyl isobutyrate
 cinnamyl isovalerate
 costus root absolute
 costus root oil
 costus root resinoid
(E,E)-2,4-decadien-1-al
2,4-decadien-1-ol
 diethyl sebacate
2,4-dimethyl-3-cyclohexene-1-methanyl acetate
(E,Z)-2,6-dodecadien-1-al
 green heptenal
(Z)-3-hepten-1-ol
3-hexen-1-al
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
 hexyl 2-methyl-3-pentenoate
2'-hydroxyacetophenone
 melon acetal
 melon carboxaldehyde
 melon heptenal
 melon nonenoate
 melon valerate
 methoxycitronellal
 methoxymelonal
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl octine carbonate
para-methyl phenoxyacetaldehyde
1-methyl thio-2-propanone
 muguet carbaldehyde
(E,E)-2,6-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
(Z,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(Z)-6-nonen-1-al
(E)-2-nonen-1-ol
(Z)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(Z)-6-nonen-1-yl acetate
(E,E)-2,4-octadien-1-al
3-octanol
(Z)-3-octen-1-ol
(Z)-5-octen-1-ol
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
3-octen-2-ol
 propyl 2,4-decadienoate
 propyl isobutyrate
 propyl nonanoate
 tropical indene
 watermelon ketone
(odor and/or flavor) used in :
 melon
natural occurrence in :
not found in nature



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