methyl ionyl acetate

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alpha-isomethylionyl acetate

CAS: 68555-61-3 C16 H26 O2 MW: 250.38162000 floral woody
All Ingredients Aromatic Ingredients CAS Numbers EINECS Numbers Flavor Ingredients Fragrance Ingredients Odor Substantivity Refractive Index Specific Gravity

Identification

Namemethyl ionyl acetate
IUPAC[(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate
CAS Number68555-61-3
EINECS271-437-4
FDA UNII65HMI3WU1Q
Molecular FormulaC16 H26 O2
Molecular Weight250.38162000
Nikkaji NumberJ309.198H

Regulatory

JECFA Food Flavoring1410 alpha-isomethylionyl acetate
FEMA Number3845
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)68555-61-3 ; ALPHA-ISOMETHYLIONYL ACETATE

Physical Properties

Appearance colorless clear liquid (est)
Assay 94.00 to 100.00 sum of isomers
Food Chemicals Codex Listed No
Specific Gravity 0.93000 to 0.94000 @ 25.00 °C.
Pounds per Gallon - (est). 7.739 to 7.822
Refractive Index 1.47000 to 1.48000 @ 20.00 °C.
Boiling Point 90.00 °C. @ 1.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.001000 mmHg @ 25.00 °C. (est)
Vapor Density >1 ( Air = 1 )
Flash Point 210.00 °F. TCC ( 98.89 °C. )
logP (o/w) 5.824 (est)
Soluble in alcohol

Organoleptic Properties

Odor Description
at 10.00 % in dipropylene glycol.
at 1.00 % in ethyl alcohol.
A soft violet, vetiver acetate odor
Taste Description
at 1.00 - 20.00 ppm.
woody powdery

Safety Information

European informationMost important hazard(s):
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 methyl ionyl acetate usage levels up to8.0000 % in the fragrance concentrate.
baked goods0.15000
beverages(nonalcoholic)0.05000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum0.50000
condiments / relishes-
confectionery froastings0.10000
egg products-
fats / oils-
fish products-
frozen dairy0.10000
fruit ices0.07000
gelatins / puddings0.20000
granulated sugar-
gravies-
hard candy0.25000
imitation dairy0.10000
instant coffee / tea-
jams / jellies0.10000
meat products-
milk products0.10000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy0.12000
soups-
sugar substitutes-
sweet sauces-

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68555-61-3 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexe
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Potential Uses

FR blackberry FR blueberry FR cherry FR floral FL licorice red licorice FR raspberry FR strawberry FL tomato FR vetiver FR woody

Natural Occurrence

not found in nature

Synonyms

3- buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate 1,2- dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl) propen-1-yl acetate 1,2- dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate methyl a-ionylacetate alpha-iso methyl ionyl acetate alpha-iso- methyl ionyl acetate [(E)-3- methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate methyl-a-ionyl acetate alpha-iso methylionyl acetate iso methylionyl acetate, a- Try the PubMed Search.