acetaldehyde ethyl isobutyl acetal 6986-51-2

acetaldehyde ethyl isobutyl acetal

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IUPAC name :

1-(1-ethoxyethoxy)-2-methylpropane

InChI :

InChI=1/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3

InChIKey :

YEKSEJHZJGHKBN-UHFFFAOYAC

SMILES :

CCOC(C)OCC(C)C

cas number :	6986-51-2
(EINECS) number :	230-251-3
fema number :	4528
coe number :	10054
fl. number :	06.091
molar refractivity :	42.51 ± 0.3 cm3
parachor :	384.5 ± 4.0 cm3
index of refraction :	1.403 ± 0.02
surface tension :	23.8 ± 3.0 dyne/cm
density :	0.840 ± 0.06 g/cm3
polarizability :	16.85 ± 0.5 10-24cm3
XlogP :	1.90
XlogP3 :	1.80
molecular weight :	146.2273200 (IUPAC)
formula :	C8 H18 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

1-(1-ethoxyethoxy)-2-methylpropane
orders in chinese only.

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.81800 to 0.82400 @ 25.00 °C.

pounds per gallon - calc. :

6.807 to 6.857

refractive index :

1.38100 to 1.38700 @ 20.00 °C.

boiling point :

155.00 °C. @ 760.00 mm Hg

vapor pressure :

5.72000 mm/Hg @ 25.00 °C.

flash point :

77.00 °F. TCC ( 25.00 °C. )

logP (o/w) :

2.02

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) :

0.097 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

1563 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

Structure Class :

Category :

flavoring agents

recommendation for acetaldehyde ethyl isobutyl acetal fragrance 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 : 24

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

20.00000

30.00000

beverages(alcoholic) :

20.00000

30.00000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

20.00000

30.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

20.00000

30.00000

jams / jellies :

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

soups :

sugar substitutes :

sweet sauces :

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/kg

maximum usage mg/kg

Dairy products, excluding products of category 02.0 (01.0) :

3.00000

15.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

2.00000

10.00000

Edible ices, including sherbet and sorbet (03.0) :

3.00000

15.00000

Processed fruit (04.1) :

2.00000

10.00000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

4.00000

20.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

2.00000

10.00000

Bakery wares (07.0) :

5.00000

25.00000

Meat and meat products, including poultry and game (08.0) :

1.00000

5.00000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

1.00000

5.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

2.00000

10.00000

Foodstuffs intended for particular nutritional uses (13.0) :

3.00000

15.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

2.00000

10.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

Ready-to-eat savouries (15.0) :

5.00000

25.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

2.00000

10.00000

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-(1-ethoxyethoxy)-2-methylpropane

(EINECS) number :

230-251-3

chemidplus :

006986512

EPA Substance Registry Services :

6986-51-2

references :

1-(1-ethoxyethoxy)-2-methylpropane

fl. number :

06.091

pubchem :

688199

other :

synonyms :
	acetaldehyde ethyl 2-methyl propyl acetal
1-iso	butoxy-1-ethoxyethane
1-	ethoxy-1-isobutoxyethane
1-(1-	ethoxyethoxy)-2-methylpropane
1-(1-	ethoxyethoxy)-2-methyl propane
Similar Products: note
1-	butoxy-1-ethoxyethane
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
natural occurrence in : note
	not found in nature

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