isovaleraldehyde diethyl acetal

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1,1-diethoxy-3-methylbutane

CAS: 3842-03-3 C9 H20 O2 MW: 160.25680000

Identification

Nameisovaleraldehyde diethyl acetal
IUPAC1,1-diethoxy-3-methylbutane
CAS Number3842-03-3
EINECS223-335-6
FDA UNIISD2G66V598
Molecular FormulaC9 H20 O2
Molecular Weight160.25680000
MDL NumberMFCD00051787
Nikkaji NumberJ133.526J
CoE Number10014

Regulatory

JECFA Food Flavoring1730 isovaleraldehyde diethyl acetal
DG SANTE Food Flavourings06.059 1,1-diethoxy-3-methylbutane
FEMA Number4371
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)3842-03-3 ; ISOVALERALDEHYDE DIETHYL ACETAL

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.83200 to 0.83800 @ 25.00 °C.
Pounds per Gallon - (est). 6.923 to 6.973
Refractive Index 1.39800 to 1.40400 @ 20.00 °C.
Boiling Point 156.00 °C. @ 760.00 mm Hg
Vapor Pressure 4.459000 mmHg @ 25.00 °C. (est)
Flash Point 112.00 °F. TCC ( 44.44 °C. )
logP (o/w) 2.394 (est)
Soluble in alcohol
Insoluble in water
Stability alkalis
Similar Items note

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for isovaleraldehyde diethyl acetal usage levels up to3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.51 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods5.00000
beverages(nonalcoholic)10.00000
beverages(alcoholic)1.00000
breakfast cereal1.00000
cheese1.00000
chewing gum5.00000
condiments / relishes1.00000
confectionery froastings1.00000
egg products1.00000
fats / oils1.00000
fish products1.00000
frozen dairy2.00000
fruit ices1.00000
gelatins / puddings2.00000
granulated sugar-
gravies1.00000
hard candy10.00000
imitation dairy5.00000
instant coffee / tea2.00000
jams / jellies1.00000
meat products1.00000
milk products1.00000
nut products1.00000
other grains1.00000
poultry1.00000
processed fruits1.00000
processed vegetables0.10000
reconstituted vegetables-
seasonings / flavors5.00000
snack foods1.00000
soft candy5.00000
soups1.00000
sugar substitutes-
sweet sauces1.00000
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

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3842-03-3 isoValeraldehyde Diethyl Acetal
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Penta International Corporation

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09-66300 ISOVALERALDEHYDE DIETHYL ACETAL
View All Website (973) 740-2300 lisaa@pentamfg.com

Potential Uses

FL brandy FL chocolate cocoa FR grape FR saffron

Natural Occurrence

brandy PMC calvados PMC cocoa cognac - 0.2 mg/kg PMC grape pepper bell pepper fruit rum - 13 mg/kg PMC whiskey wine

Synonyms

butane, 1,1-diethoxy-3-methyl- 1,1- diethoxy-3-methyl butane 1,1- diethoxy-3-methylbutane 1,1- diethoxyisopentane 3- methyl butanal diethyl acetal 3- methylbutanal diethyl acetal 3- methylbutanal, diethyl acetal iso valer aldehyde DEA iso valeraldehyde, diethyl acetal PubMed: Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis. PubMed: Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors.