1-ethoxyethyl acetate
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IUPAC name :1-ethoxyethyl acetate
InChI :InChI=1/C6H12O3/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3
InChIKey :FAIARWOGQAQTPS-UHFFFAOYAH
SMILES :CCOC(C)OC(=O)C
cas number :1608-72-6
(EINECS) number :216-537-0
fema number :4069
jecfa number :1726
fl. number :03.023
molar refractivity :33.32 ± 0.3 cm3
parachor :312.6 ± 4.0 cm3
index of refraction :1.398 ± 0.02
surface tension :26.5 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :13.21 ± 0.5 10-24cm3
XlogP : 1.10
molecular weight : 132.1576800 (IUPAC)
formula :C6 H12 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  
fresh fruity

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94700 to 0.95100 @ 25.00 °C.
pounds per gallon - calc. : 7.880 to 7.913
refractive index :1.38600 to 1.39200 @ 20.00 °C.
boiling point : 136.00 to 138.00 °C. @ 760.00 mm Hg
vapor pressure :7.15000 mm/Hg @ 25.00 °C.
flash point : 105.00  °F.  TCC  ( 40.56 °C. )
logP (o/w) : 0.90

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :7.10 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for 1-ethoxyethyl acetate usage levels up to :
 not for fragrance use.
 
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 : 22
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.200005.00000
beverages(alcoholic) : 0.3000010.00000
breakfast cereal : --
cheese : --
chewing gum : 20.0000050.00000
condiments / relishes : --
confectionery froastings : 0.5000010.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.500005.00000
fruit ices : 1.0000010.00000
gelatins / puddings : 0.500005.00000
granulated sugar : --
gravies : --
hard candy : 1.0000010.00000
imitation dairy : --
instant coffee / tea : 0.5000010.00000
jams / jellies : 1.0000010.00000
meat products : --
milk products : 0.500005.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 0.500005.00000
soups : --
sugar substitutes : --
sweet sauces : 0.8000010.00000

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
 1-ethoxyethyl acetate
(EINECS) number :216-537-0
chemidplus :001608726
EPA Substance Registry Services :1608-72-6
dtp/nci :55203

references :
 1-ethoxyethyl acetate
fl. number :03.023
jecfa number :1726
pubchem :001608726

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(±)-1-acetoxy-1-ethoxyethane
1-ethoxy-1-ethanol acetate

soluble in :
 alcohol
 water

(odor and/or flavor) blends with :
isoamyl 3-methyl thiopropionate
isoamyl propionate
 buchu mercaptan
 cassis pentanone
 citronellyl acetate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 geranyl methyl tiglate
 heptanal dimethyl acetal
 maltyl isobutyrate
 methyl 2-(methyl thio) butyrate
 methyl thiomethyl butyrate
2-octen-4-one
 passiflora acetate
1-penten-3-ol
 phenethyl acetate
 propyl isobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
isovaleraldehyde propylene glycol acetal
 viridiflorol

natural occurrence in :
not found in nature



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