fruity ketal
Notes :
Fruit topnotes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
InChI :InChI=1/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3
InChIKey :GSIXJEIRJVOUFB-UHFFFAOYAQ
SMILES :CCOC(=O)CC1(OCC(O1)C)C
(EINECS) number :228-536-2
cas number :6290-17-1
fema number :4294
jecfa number :1715
fl. number :06.087
molar refractivity :46.73 ± 0.3 cm3
parachor :440.8 ± 4.0 cm3
index of refraction :1.423 ± 0.02
surface tension :33.4 ± 3.0 dyne/cm
density :1.026 ± 0.06 g/cm3
polarizability :18.52 ± 0.5 10-24cm3
xlogp : 1.00
molecular weight : 188.2209400
formula :C9 H16 O4
BioActivity Analysis :72512
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fresh tart fruity apple strawberry
substantivity :12  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.03800 - 1.04600 @ 25.00 °C.
pounds per gallon - calc. : 8.637 to 8.704
specific gravity :1.03900 - 1.04700 @ 20.00 °C.
pounds per gallon - calc. : 8.656 to 8.722
refractive index :1.42500 - 1.43000 @ 20.00 °C.
melting point : -68.00 °C. @ 760.00 mm Hg
boiling point : 110.00 °C. @ 27.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.17
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 195.00  °F.  TCC  ( 90.56 °C. )
  
recommendation for fruity ketal usage levels up to :
  30.0000 % 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).
publication number : 23.
4294 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000010.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : --
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000010.00000
snack foods : --
soft candy : --
soups : 5.0000010.00000
sugar substitutes : --
sweet sauces : 5.0000010.00000
safety links : 
msds :msds
  
(EINECS) number :228-536-2
chemidplus :006290171
epa-srs :6290-17-1
dtp/nci :6547
  
other : 
  C of A
references : 
pubchem :672544
  
synonyms :
 dimethyl dioxolane
2,4-dimethyl-1,3-dioxolane-2-ethyl acetate
 ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
 ethyl acetoacetate propylene glycol ketal
 ethyl dimethyl dioxolane-2-acetate
 ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate
(Z+E)-ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate
 fragolane
 fraistone
 fruity ketal
 propyl fruitat
 strawberry ketal
soluble in :
 alcohol
 water, 72 mg/L @ 20C
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 almond oil
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
isoamyl isovalerate
isoamyl salicylate
 amyris wood oil
para-anisyl acetate
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 blood orange oil
 bois de rose oil
isobutyl cinnamate
 cassia bark oil
 cinnamyl alcohol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 ethyl (E,Z)-2,4-decadienoate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 eucalyptus oil
 fir needle oil
 floral pyranol
 galbanum oil
 gardenia oxide
 geranyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl isovalerate
 hexyl tiglate
 leaf acetal
 lemon oil
 lime oil
 linalool
 linalool oxide
 linalyl acetate
 melon heptenal
 melon nonenoate
 methyl dihydrojasmonate
 methyl heptenone
 neryl acetate
 ocean propanal
(Z)-5-octen-1-ol
 orange oil
 peony alcohol
 petitgrain oil
 phenethyl acetate
 spearmint oil
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
gamma-undecalactone
 verbena oil
 violet methyl carbonate
 woody amylene
(odor and/or flavor) used in :
 apple
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 apricot
 arrack
 banana
 bark
 berry jam
 blossom tropical blossom
 bramble arctic bramble blackberry
 brandy
 briar sweet briar eglantine
 cassis black currant bud
 cheese romano cheese
 cheese swiss cheese
 cherry black cherry
 cherry blossom
 cider
 citronella
 cloudberry bakeapple
 crabapple blossom
 date
 elderberry
 foliage
 gingergrass
 gooseberry
 grape
 grape white grape
 grapefruit
 grass green grass
 hibiscus
 iris blossom
 jackfruit
 kiwi
 kiwi blossom
 kumquat
 licorice
 lychee soapberry
 mandarin
 mango
 marigold tagete
 mate
 melon watermelon muskmelon cantaloupe
 myrtle
 nectarine
 orange
 osmanthus
 papaya
 passion fruit
 peach
 peach blossom
 pear
 pear bartlett pear
 pear blossom
 pear emperor pear
 pineapple
 plum
 plum blossom
 plum greengage plum
 plum mirabelle plum
 plum mirabille blossom
 pomegranate
 rose wild rose
 rue
 rum butter rum
 sarsaparilla
 spearmint
 starfruit
 tangerine
 tarragon
 tea
 tropical
 tutti frutti
 wine
 wintergreen
natural occurrence in :
not found in nature



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