geranyl acetoacetate

trans-3,7-dimethyl-2,6-octadien-1-yl 3-oxobutanoate

CAS: 10032-00-5 C14 H22 O3 MW: 238.32694000 fruity

Identification

Namegeranyl acetoacetate
IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate
CAS Number10032-00-5
EINECS233-101-5
FDA UNII08QN2PN8MT
Molecular FormulaC14 H22 O3
Molecular Weight238.32694000
Nikkaji NumberJ54.985A
CoE Number243

Regulatory

JECFA Food Flavoring599 geranyl acetoacetate
DG SANTE Food Flavourings09.405 geranyl acetoacetate
FEMA Number2510
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)10032-00-5 ; GERANYL ACETOACETATE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear oily liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 127.00 to 129.00 °C. @ 22.00 mm Hg
Vapor Pressure 0.000115 mmHg @ 25.00 °C. (est)
Flash Point 291.00 °F. TCC ( 143.89 °C. )
logP (o/w) 3.517 (est)
Soluble in alcohol
Insoluble in water
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Human Experience4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 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 geranyl acetoacetate usage levels up to6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.04 (μg/capita/day)
Structure ClassI
baked goods1.00000
beverages(nonalcoholic)0.50000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy1.00000
fruit ices1.00000
gelatins / puddings-
granulated sugar-
gravies-
hard candy1.00000
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

FR apple FR blueberry FR cherry FR floral FR fruit FR herbal FR mango

Natural Occurrence

not found in nature

Synonyms

acetoacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- butanoic acid, 3-oxo-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester butanoic acid, 3-oxo-, 3,7-dimethyl-2,6-octadienyl ester, (E)- (E)-3,7- dimethyl-2,6-octadien-1-yl 3-oxobutanoate trans-3,7- dimethyl-2,6-octadien-1-yl 3-oxobutanoate 3,7- dimethyl-2,6-octadien-1-yl 3-oxobutanoate, trans- (E)-3,7- dimethyl-2,6-octadien-1-yl acetoacetate trans-3,7- dimethyl-2,6-octadien-1-yl acetoacetate 3,7- dimethyl-2,6-octadien-1-yl acetoacetate, trans- 3,7- dimethyl-2,6-octadienyl 3-oxobutanoate, (E)- (E)-3,7- dimethyl-2,6-octadienyl acetoacetate 3,7- dimethyl-2,6-octadienyl acetoacetate, (E)- (2E)-3,7- dimethylocta-2,6-dien-1-yl 3-oxobutanoate [(2E)-3,7- dimethylocta-2,6-dienyl] 3-oxobutanoate (E)- geranyl 3-oxobutanoate geranyl acetoacetate (E)- geranyl beta-ketobutyrate (E)- neryl acetoacetate Try the PubMed Search.