phenyl acetaldehyde diethyl acetal
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IUPAC name :2,2-diethoxyethylbenzene
InChI :InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey :FYERTDTXGGOMGT-UHFFFAOYAI
SMILES :CCOC(CC1=CC=CC=C1)OCC
cas number :6314-97-2
(EINECS) number :228-642-9
fema number :4625
molar refractivity :57.78 ± 0.3 cm3
parachor :479.7 ± 4.0 cm3
index of refraction :1.485 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :22.90 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 2.80
molecular weight : 194.2701200
formula :C12 H18 O2
BioActivity Analysis :82741
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Inoue :PHENYL ACETALDEHYDE DIETHYL ACETAL

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
fresh green bluebell almond sweet limeblossom

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 237.00 to 238.00 °C. @ 760.00 mm Hg
boiling point : 91.00 to 92.00 °C. @ 8.00 mm Hg
flash point :not determined
logP (o/w) : 3.14

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

safety in use :
 
recommendation for phenyl acetaldehyde diethyl acetal usage levels up to :
  2.0000 % 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 : 24
 average usual ppmaverage maximum ppm
baked goods : 0.100001.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 0.100001.00000
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 0.100001.00000
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 2,2-diethoxyethylbenzene
(EINECS) number :228-642-9
chemidplus :006314972
EPA Substance Registry Services :6314-97-2
dtp/nci :20031

references :
 2,2-diethoxyethylbenzene
NIST Chemistry WebBook :1834009021
pubchem :657587

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 alleglal
 benzene acetaldehyde diethyl acetal
 benzeneacetaldehyde diethyl acetal
1,1-diethoxy-2-phenyl ethane
1,1-diethoxy-2-phenylethane
2,2-diethoxyethyl benzene
(2,2-diethoxyethyl) benzene
(2,2-diethoxyethyl)benzene
2,2-diethoxyethylbenzene
 phenylacetaldehyde diethyl acetal

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetophenone
2-acetyl furan
 allyl nonanoate
 almond oil bitter
ortho-anisaldehyde
para-anisyl alcohol
 anisyl propanal / methyl anthranilate schiff's base
 benzaldehyde
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde dimethyl acetal
 benzaldehyde glycrol acetal
2-benzofuran carboxaldehyde
 benzyl methyl ether
 bread thiophene
2-isobutyl thiazole
 cherry laurel oil
 chocolate pyrazine A
 chocolate pyrazine B
 cinnamyl alcohol
 citronellyl ethoxalate
 citronellyl oxyacetaldehyde
 citrus carbaldehyde / methyl anthranilate schiff's base
 cocoa pyrazine
para-cresyl phenyl acetate
 cumin acetaldehyde
 cumin carbinol
 cyclamen homoaldehyde
 cyclohexyl cinnamate
 cyclohexyl propanol
2-decalinol
(Z)-4-decen-1-al
 dibenzyl ketone
2,4-dimethyl benzaldehyde
 dimethyl benzyl carbinol
2,4-dimethyl cyclohexyl methyl acetate
 dimethyl salicylate
4-ethyl benzaldehyde
 ethyl hydrocinnamate
 ethyl linalyl acetal
5-ethyl-2-thiophene carboxaldehyde
2-ethyl-3,5(6)-dimethyl pyrazine mixture
(E,E)-farnesol
 floral butanal
 floral pyranol
 furfural
 galbanum ketone
 geranyl crotonate
 green ether
 hawthorn ethanol
 heptyl cinnamate
2,4-hexadien-1-ol
 hexanal diethyl acetal
3,4-hexane dione
2-hexen-1-al
3-hexen-1-al
 hyacinth absolute
 hyacinth butanal
 hyacinth ether
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
2,4-ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasimia
 kewda absolute
 kewda oil
 leafy acetal
 leafy oxime
 leerall
 lilyall
 lilyall / methyl anthranilate schiff's base
 magnolia cyclohexanol
2-methoxy-3-methyl pyrazine
2'-methoxyacetophenone
 methoxycitronellal
 methyl benzoate
 methyl phenyl acetate
4-methyl salicylaldehyde
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
 muguet butanal
 muguet butanol
 muguet carboxaldehyde
 muguet ethanol
 muguet nitrile
 muguet propanol
 muguet shiseol
 muguet undecadienal
 myrmac aldehyde
 narcissus absolute
 ocean propanal / methyl anthranilate schiff's base
 orangeflower absolute
 phenethyl acetal
 phenethyl formate
 phenethyl salicylate
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetaldehyde ethylene glycol acetal
 phenyl glycol diacetate
2-phenyl propionaldehyde
3-phenyl propionaldehyde
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propyl acetate
(R)-2-phenyl propyl alcohol
2-phenyl propyl alcohol
3-phenyl propyl alcohol
3-phenyl propyl formate
 phenyl propyl phenyl acetate
3-phenyl propyl propionate
 phenyl pyruvic acid
(E)-2-phenyl-1(2)-propene-1-yl acetate
 powdery ketone
 propyl cinnamate
isopropyl phenyl acetate
isopropyl quinoline
 reseda acetal
 rose absolute
laevo-rose oxide
 styralyl alcohol
 tea acetate
 tetrahydrofurfuryl cinnamate
 tolualdehyde glyceryl acetal

(odor and/or flavor) used in :
 bluebell
 green
 hyacinth jacinthe
 linden blossom limeflower tilleul

natural occurrence in :
not found in nature



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