fresh decan-2-one

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3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one

CAS: 831213-72-0 C13 H22 O3 MW: 226.31594000
All Ingredients Aromatic Ingredients CAS Numbers FLAVIS Numbers Flavor Ingredients Fragrance Ingredients Refractive Index Solvents Specific Gravity

Identification

Namefresh decan-2-one
IUPAC2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CAS Number831213-72-0
FDA UNIIGX6FA6GRM7
Molecular FormulaC13 H22 O3
Molecular Weight226.31594000

Regulatory

JECFA Food Flavoring1859 3,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
DG SANTE Food Flavourings06.136 6-isopropyl-3,9-dimethyl-1,4-dioxyspiro[4.5]decan-2-one
FEMA Number4285
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)831213-72-0 ; 3,9-DIMETHYL-6-(1-METHYLETHYL)-1,4-DIOXASPIRO[4.5] DECAN-2-ONE

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.90 to 100.00 sum of isomers
Food Chemicals Codex Listed No
Specific Gravity 1.01800 to 1.02100 @ 25.00 °C.
Pounds per Gallon - (est). 8.471 to 8.496
Refractive Index 1.46060 to 1.46090 @ 20.00 °C.
Boiling Point 323.00 to 325.00 °C. @ 760.00 mm Hg, 259.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.000380 mmHg @ 25.00 °C. (est)
Flash Point 266.00 °F. TCC ( 130.00 °C. ) (est)
logP (o/w) 2.528 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description minty

Safety Information

Oral/Parenteral Toxicityoral-rat LD50 > 2000 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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for fresh decan-2-one usage levels up to3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)0.075 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
baked goods10.00000
beverages(nonalcoholic)20.00000
beverages(alcoholic)20.00000
breakfast cereal10.00000
cheese20.00000
chewing gum40.00000
condiments / relishes5.00000
confectionery froastings40.00000
egg products2.00000
fats / oils2.00000
fish products1.00000
frozen dairy20.00000
fruit ices20.00000
gelatins / puddings5.00000
granulated sugar5.00000
gravies2.00000
hard candy40.00000
imitation dairy20.00000
instant coffee / tea20.00000
jams / jellies20.00000
meat products5.00000
milk products20.00000
nut products20.00000
other grains10.00000
poultry10.00000
processed fruits20.00000
processed vegetables5.00000
reconstituted vegetables5.00000
seasonings / flavors2.00000
snack foods5.00000
soft candy40.00000
soups5.00000
sugar substitutes5.00000
sweet sauces20.00000
Dairy products, excluding products of category 02.0 (01.0)0.00010
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.00010
Edible ices, including sherbet and sorbet (03.0)0.00010
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.00100
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.00010
Bakery wares (07.0)0.00010
Meat and meat products, including poultry and game (08.0)-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)-
Foodstuffs intended for particular nutritional uses (13.0)0.00010
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.00010
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.00010
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.00010

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

3,9- dimethyl-6-(1-methyl ethyl)-1,4-dioxaspiro(4.5)decan-2-one 3,9- dimethyl-6-(1-methylethyl)-1,4-dioxaspiro(4.5)decan-2-one 3,9- dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one 1,4- dioxaspiro[4.5]decan-2-one, 3,9-dimethyl-6-(1-methylethyl)- freshone 6-iso propyl-3,9-dimethyl-1,4-dioxyspiro(4.5)decan-2-one 6-iso propyl-3,9-dimethyl-1,4-dioxyspiro[4.5]decan-2-one Try the PubMed Search.