acetyl acetaldehyde dimethyl acetal

3-ketobutyraldehyde dimethylacetal

CAS: 5436-21-5 C6 H12 O3 MW: 132.15924000 ethereal

Identification

Nameacetyl acetaldehyde dimethyl acetal
CAS Number5436-21-5
EINECS226-605-1
FDA UNII0IZ188B2ZA
Molecular FormulaC6 H12 O3
Molecular Weight132.15924000
MDL NumberMFCD00008789
Nikkaji NumberJ150.136D
Beilstein1702372
CoE Number10029

Regulatory

JECFA Food Flavoring593 3-oxobutanal dimethyl acetal
DG SANTE Food Flavourings06.038 4,4-dimethoxybutan-2-one
FEMA Number3381
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)5436-21-5 ; 3-OXOBUTANAL, DIMETHYL ACETAL

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.99300 to 0.99800 @ 25.00 °C.
Pounds per Gallon - (est). 8.263 to 8.304
Refractive Index 1.41400 to 1.42400 @ 20.00 °C.
Melting Point -83.00 °C. @ 760.00 mm Hg
Boiling Point 178.00 °C. @ 760.00 mm Hg, 70.00 to 73.00 °C. @ 20.00 mm Hg
Vapor Pressure 1.351000 mmHg @ 25.00 °C. (est)
Flash Point 135.00 °F. TCC ( 57.22 °C. )
logP (o/w) -0.067 (est)
Soluble in alcohol
Insoluble in water
Stability alkalis
Similar Items note

Organoleptic Properties

Odor Description at 0.10 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-rat LD50 [sex: M] 6200 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for acetyl acetaldehyde dimethyl acetal usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.012 (μg/capita/day)
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
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-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FL almond FR almond FL apple FR crabapple FL apple green apple FL apple red apple FL apricot FL arrack FL banana FR berry jam FL berry mixed berry FL blackberry FL blueberry FR boronia FR boxwood berry FL boysenberry FR bramble arctic bramble blackberry FL brandy apricot brandy FR briar wood FL bubble gum FL cherry FL cherry black cherry FL cherry maraschino cherry FL cherry wild cherry FL cloudberry bakeapple FL coconut FR coconut tropical coconut FR currant FL currant black currant FL currant red currant FL date FR davana oil replacer FL durian FL elder berry FL fig FR fruit fruit dried fruit fruit jam FR fruit juicy fruit FL fruit punch FL fruit tropical fruit FL gooseberry FL grape FL grape concord grape FL grape white grape FL guava FL hazelnut FR hibiscus FL honeydew FL huckleberry FL/FR immortelle FR iris blossom FL jackfruit jam FL kiwi FL loganberry FL lychee FL mango FL/FR marigold FL melon FR melon FL mulberry FR myrtle oil replacer FL nut FL/FR orange bitter orange peel FR osmanthus FL papaya FR passion blossom FR passion fruit FL peach FL peanut FL peanut butter FL pear FL pear bartlett pear FL pear emperor pear FL pina colada FL pineapple FL plum FL plum greengage plum plum jam plum mirabelle plum FL pomegranate FL prune FL quince FL raisin FL raspberry FL raspberry black raspberry raspberry green raspberry raspberry jam FL raspberry red raspberry ripe rose wild rose FL/FR rue FR stephanotis FL strawberry strawberry jam FR tangerine FL tutti frutti FL walnut FL watermelon

Natural Occurrence

not found in nature

Synonyms

AADMA acetoacetaldehyde dimethyl acetal acetoacetaldehyde, 1- (dimethyl acetal) acetoacetaldehyde, 1-(dimethyl acetal) acetylacetaldehyddimethylacetal acetylacetaldehyde dimethyl acetal acetylacetaldehyde dimethylacetal acetylacetaldehydedimethylacetal acetylaldehyde dimethylacetal 3-oxo butanal dimethyl acetal 2- butanone, 4,4-dimethoxy- 3-keto butyraldehyde dimethyl acetal 3-oxo butyraldehyde dimethyl acetal beta-oxo butyraldehyde dimethyl acetal 3-keto butyraldehyde dimethylacetal 3-oxo butyraldehyde dimethylacetal 3-keto butyraldehyde DMA 4,4- dimethoxy-2-butanone 4 4- dimethoxy-2-butanone tech. grade 1,1- dimethoxy-3-butanone 4,4- dimethoxy-butan-2-one 4,4- dimethoxybutan-2-one 4,4- dimethoxybutanone 4,4- dimethoxyl butan-2-one formyl acetone dimethyl acetal Try the PubMed Search.