acetaldehyde ethyl propyl acetal
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IUPAC name :1-(1-ethoxyethoxy)propane
InChI :InChI=1/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3
InChIKey :XKPTXCDASJWOLK-UHFFFAOYAC
SMILES :CCCOC(C)OCC
cas number :20680-10-8
(EINECS) number :243-963-4
coe number :10050
fl. number :06.086
molar refractivity :37.92 ± 0.3 cm3
parachor :347.3 ± 4.0 cm3
index of refraction :1.397 ± 0.02
surface tension :23.8 ± 3.0 dyne/cm
density :0.841 ± 0.06 g/cm3
polarizability :15.03 ± 0.5 10-24cm3
XlogP : 1.60
XlogP3 : 1.40
molecular weight : 132.2007400 (IUPAC)
formula :C7 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82700 to 0.83700 @ 25.00 °C.
pounds per gallon - calc. : 6.881 to 6.965
refractive index :1.38900 to 1.39500 @ 20.00 °C.
boiling point : 126.00 °C. @ 760.00 mm Hg
vapor pressure :10.70000 mm/Hg @ 25.00 °C.
flash point : 68.00  °F.  TCC  ( 20.00 °C. )
logP (o/w) : 1.68

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) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :1503 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
Processed fruit (04.1) : 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 2.0000010.00000
Bakery wares (07.0) : 5.0000025.00000
Meat and meat products, including poultry and game (08.0) : 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 1.000005.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0) : 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : --
Ready-to-eat savouries (15.0) : 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 2.0000010.00000

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
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-(1-ethoxyethoxy)propane
(EINECS) number :243-963-4
chemidplus :020680108
EPA Substance Registry Services :20680-10-8

references :
 1-(1-ethoxyethoxy)propane
fl. number :06.086
NIST Chemistry WebBook :2761061165
pubchem :172396

other :
synonyms :
1-ethoxy-1-propoxyethane
1-(1-ethoxyethoxy) propane
1-(1-ethoxyethoxy)propane

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 allyl nonanoate
 anisyl propanal / methyl anthranilate schiff's base
 basil absolute sweet
 benzaldehyde propylene glycol acetal
2-isobutyl thiazole
para-cresyl phenyl acetate
para-cresyl phenyl ether
 cumin acetaldehyde
neocyclocitral
 dimethyl benzyl carbinol
2,4-dimethyl cyclohexyl methyl acetate
 diphenyl oxide
 galbanum oil terpeneless
 galbanum oleoresin
 geranium absolute
 heptyl cinnamate
 herbal heptane
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
 hexoxyacetaldehyde dimethyl acetal
 hexyl heptanoate
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 ivy dioxolane
 leaf acetal
 leafy acetal
 leafy oxime
 lilac pentanol
 magnolia indene
 methyl heptine carbonate
3-methyl-3-pentanol
 narcissus acetate
(E,Z)-2,6-nonadien-1-yl acetate
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 petitgrain combava oil
 phenethyl acetal
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde diisobutyl acetal
3-phenyl propionaldehyde
 plectranthus glandulosus hook f. leaf oil cameroon
 propyl cinnamate
isopropyl phenyl acetate
isopropyl phenyl propionaldehyde
isopropyl quinoline
isopulegyl formate
 reseda acetal
 rose leaf absolute
laevo-rose oxide
 styralyl acetate
 tea acetate
 tetrahydrofurfuryl cinnamate

natural occurrence in :
not found in nature



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