fruity ketal
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Notes :
Fruit topnotes.
 
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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
cas number :6290-17-1
(EINECS) number :228-536-2
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
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Berje :Dimethyl Dioxolane
IFF :Fraistone
≥98% (sum of isomers)
Odor:  A tart, fresh, anisic, fruity note reminiscent of apple, plum and strawberry.
Inoue :ETHYL ACETO ACETATE PG ACETAL
John D. Walsh :Fraistone
Moellhausen :fraistone
97% min. artifical kosher
Odor:  freshly fruity, reminiscent of apples and strawberries
Penta :ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate
Sigma-Aldrich-SAFC :Ethyl dimethyl dioxolane acetate
mixture of isomers
Symrise :Fragolane®
Takasago :Dimethyl Dioxolan
≥97% min. sum isomers
Odor:  Fruity,apple, strawberry, sweet
Ungerer :Strawberry Ketal

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
fresh fruity apple strawberry licorice
substantivity :12  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.03800 to 1.04600 @ 25.00 °C.
pounds per gallon - calc. : 8.637 to 8.704
specific gravity :1.03900 to 1.04700 @ 20.00 °C.
pounds per gallon - calc. : 8.656 to 8.722
refractive index :1.42500 to 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
PH number :6.40
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 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
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
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).
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 : 23
 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 references :
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
(EINECS) number :228-536-2
chemidplus :006290171
EPA Substance Registry Services :6290-17-1
dtp/nci :6547

references :
 ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
fl. number :06.087
jecfa number :1715
NIST Chemistry WebBook :6290171
pubchem :672544

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (2001)¹
CosIng :cosmetic data
 C of A
synonyms :
 dimethyl dioxolane
2,4-dimethyl-1,3-dioxolane-2-ethyl acetate
 ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
 ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
cis- and trans-ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
 ethyl acetoacetate propylene glycol ketal
 ethyl acetoacetate propyleneglycol 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
 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 :
 acetaldehyde methyl hexyl acetal
 acetone
 acetyl methyl anthranilate
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 amyl 2-methyl butyrate
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
 amyl isobutyrate
 amyl isovalerate
isoamyl isovalerate
isoamyl salicylate
isoamyl valerate
 amyris wood oil
para-anisyl acetate
 apple ketal
 apple notes
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl isovalerate
 benzyl propionate
 berry pentadienoate
 blood orange oil
 bois de rose oil
isobutyl cinnamate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
isobutyl-3-(methyl thio) butyrate
 cassia bark oil
 cinnamyl alcohol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl butyrate
 cyclohexyl ethyl alcohol
 cyclohexyl isovalerate
alpha-damascone
gamma-damascone
gamma-decalactone
3-decen-2-one
 diethyl 1-malate
 ethyl (E,Z)-2,4-decadienoate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl decanoate
 ethyl heptanoate
 ethyl isovalerate
 ethyl maltol
 ethyl valerate
 eucalyptus oil
 fir needle oil
 floral pyranol
 galbanum oil
 gardenia oxide
 geranyl acetate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
 heliotropyl acetate
 heptyl 2-methyl butyrate
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl tiglate
 leaf acetal
 leather propionate
 lemon oil
 lime oil
 linalool
 linalool oxide
 linalyl acetate
 maltyl isobutyrate
 marine formate
 melon heptenal
 melon nonenoate
 methyl (E)-cinnamate
 methyl butyrate
 methyl cinnamate
 methyl citronellate
 methyl dihydrojasmonate
 methyl heptenone
 methyl isovalerate
 methyl propionate
 methyl valerate
2-methyl-2-pentenoic acid
 nerolin fragarol
 neryl acetate
 neryl isobutyrate
 nonyl isovalerate
 ocean propanal
(Z)-5-octen-1-ol
 orange oil
(E)-2-penten-1-al
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl butyrate
3-phenyl propyl isovalerate
 phenyl propyl valerate
 propyl heptanoate
 propyl isovalerate
isopropyl isovalerate
 spearmint oil
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 strawberry notes
 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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