(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :(3E)-4,8-dimethylnona-3,7-dien-2-one
InChI :InChI=1/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+
InChIKey :QAFYGHBGWCPRCI-CSKARUKUBI
SMILES :CC(=CCC/C(=C/C(=O)C)/C)C
cas number :817-88-9
fema number :3969
jecfa number :1137
fl. number :07.256
molar refractivity :52.84 ± 0.3 cm3
parachor :441.6 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :26.8 ± 3.0 dyne/cm
density :0.856 ± 0.06 g/cm3
polarizability :20.94 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 166.2600200
formula :C11 H18 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral fruity

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86900 to 0.87500 @ 25.00 °C.
pounds per gallon - calc. : 7.231 to 7.281
refractive index :1.47300 to 1.47700 @ 20.00 °C.
boiling point : 200.00 to 201.00 °C. @ 760.00 mm Hg
flash point : 216.00  °F.  TCC  ( 102.22 °C. )
logP (o/w) : 3.22

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E+Z)-4,8-dimethyl-3,7-nonadien-2-one usage levels up to :
  5.0000 % 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 average usual ppmaverage maximum ppm
baked goods : 50.00000300.00000
beverages(nonalcoholic) : 1.0000010.00000
beverages(alcoholic) : 5.0000040.00000
breakfast cereal : 1.0000010.00000
cheese : --
chewing gum : 50.00000250.00000
condiments / relishes : --
confectionery froastings : 5.0000040.00000
egg products : 5.0000040.00000
fats / oils : 3.00000150.00000
fish products : 5.0000040.00000
frozen dairy : 10.0000060.00000
fruit ices : 10.0000060.00000
gelatins / puddings : 10.0000060.00000
granulated sugar : --
gravies : 5.0000030.00000
hard candy : 30.00000150.00000
imitation dairy : --
instant coffee / tea : 2.0000010.00000
jams / jellies : 20.0000080.00000
meat products : --
milk products : 5.0000050.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000030.00000
snack foods : 5.0000030.00000
soft candy : 30.00000150.00000
soups : 1.0000010.00000
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 (3E)-4,8-dimethylnona-3,7-dien-2-one
chemidplus :817-88-9
EPA Substance Registry Services :817-88-9

references :
 (3E)-4,8-dimethylnona-3,7-dien-2-one
fl. number :07.256
jecfa number :1137
NIST Chemistry WebBook :817889
pubchem :43183054

other :
synonyms :
 citrinone
(E+Z)-4,8-dimethyl nona-3,7-dien-2-one
(3E)-4,8-dimethylnona-3,7-dien-2-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
2,4-difurfuryl furan
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl levulinate
4-ethyl octanoic acid
 geraniol
2-heptanol
 heptyl isobutyrate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl decanoate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
(E)-7-methyl-3-octen-2-one
3-nonanon-1-yl acetate
 orris root concrete
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
isopropyl benzoate
 rhubarb pyran
 rose undecene
 star fruit oil cuba
 terpinyl valerate
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 tropical ionone

(odor and/or flavor) used in :
 floral
 fruit
 fruit tropical fruit
 mango
 papaya
 passion fruit

natural occurrence in :
not found in nature



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