geranyl acetoacetate
3,7-dimethyl-2,6-octadien-1-yl acetoacetate
 
Notes:
Flavouring ingredient
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CAS Number: 61759-64-6Picture of molecule3D/inchi
XlogP3-AA: 3.30 (est)
Molecular Weight: 238.32694000
Formula: C14 H22 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 336.00 to  337.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000115 mm/Hg @ 25.00 °C. (est)
Flash Point: 292.00 °F. TCC ( 144.20 °C. ) (est)
logP (o/w): 3.517 (est)
Soluble in:
 alcohol
 water, 33.71 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 green  sweet  rose  woody  fruity  
Odor Description:
at 100.00 %. 
green sweet rose woody fruity
 
 
Flavor Type: musty
 
 musty  floral  berry  
Taste Description:
at 1.00 ppm.  
musty slightly floral berry
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 278476
National Institute of Allergy and Infectious Diseases: Data
 3,7-dimethylocta-2,6-dienyl 3-oxobutanoate
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References:
 3,7-dimethylocta-2,6-dienyl 3-oxobutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 278476
Pubchem (sid): 419539
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB38256
FooDB: FDB017550
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 undecenal mixture (aldehyde C-11 mixed)FL/FR
balsamic
isobornyl formateFL/FR
isobornyl propionateFL/FR
 callitropsis araucarioides wood oilFR
 fir carboxylateFR
scotch pine wood/needles resinoidFR
 tolu balsam replacerFR
berry
 raspberry ketone methyl etherFL/FR
citrus
 citronella oil ceylonFL/FR
 citronella oil ceylon replacerFR
earthy
 orris specialtyFR
fatty
 hexyl pivalateFR
floral
 acetaldehyde dibutyl acetalFL/FR
 anise indeneFR
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 boronia absolute replacerFL/FR
 boronia fragranceFR
 bursera graveolens wood oilFL/FR
 citronellyl acetateFL/FR
 citronellyl acetoneFL/FR
2-para-cresyl ethanolFL/FR
isocyclodimethyl octanolFR
 cymbopogon validus leaf oilFR
gamma-damasconeFR
delta-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 eucalyptus macarthurii oilFR
 floral undecenoneFR
 geranium oil bourbonFL/FR
 geranium oil egyptFL/FR
 geranyl nonanoateCS
 glycoacetalFR
 hibiscus sabdariffa flower extractFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
beta-iononeFL/FR
(E)-beta-iononeFL/FR
 ionone mixed isomersFL/FR
beta-ironeFL/FR
laevo-linaloolFL/FR
 linalool terpenesFR
 linalyl propionateFL/FR
southern magnolia leaf oil fractionsFR
(3-methoxy-2-methyl propyl) benzeneFR
N-methyl iononeFR
 methyl ionyl acetateFL/FR
 muguet butanolFR
 muguet carbinolFL/FR
 narcissus acetateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris fragranceFR
 orris rhizome oil (iris germanica)FL/FR
 peony fragranceFR
beta-phenethyl angelate 
 phenethyl formateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl propyl phenyl acetateFR
 primrose fragranceFR
 styralyl propionateFL/FR
fruity
 brandy extractFL/FR
 buchu wood specialtyFL/FR
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehydeFR
1,4-dimethyl bicyclo(3.2.1)oct-3-yl acetateFR
1,2-dimethyl butyl 2-butenoateFR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 green acetateFR
 heptyl isovalerateFL/FR
alpha-ionyl ethyl ether 
 methyl (Z)-5-octenoateFL/FR
 octyl propionateFL/FR
2-pentanoneFL/FR
 perillyl acetateFL/FR
 pineapple hydroxyhexanoateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
green
 benzhydrolFR
 biphenyl 
 geranium absoluteFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 magnolia leaf oilFL/FR
 neryl butyrateFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 bursera graveolens wood 
 freesia heptanolFL/FR
 herbal specialtyFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
beta-sesquiphellandrene 
 tricyclodecenyl propionateFR
4,4,6-trimethyl-2-phenyl-1,3-dioxaneFR
musty
ketoisophoroneFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove fragranceFR
N,N-diethyl octanamideFR
 gingergrass oilFR
 green oxaneFR
 pepper hexanoneFR
 pepper tree berry oil CO2 extractFL/FR
waxy
 orris rhizome oil CO2 extractFL/FR
woody
(E)-ethyl geranateFR
 melozol acetateFR
 myrtenyl isobutyrate 
2-N-propoxy-3(5)-methyl pyrazine 
 spicy pentanoneFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-oneFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde dibutyl acetalFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 boronia absolute replacerFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
 citronellyl acetoneFL/FR
2-para-cresyl ethanolFL/FR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 heptyl isovalerateFL/FR
 ionone mixed isomersFL/FR
alpha-ionyl ethyl ether 
 magnolia leaf oilFL/FR
 myrtenyl isobutyrate 
 narcissus acetateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
beta-sesquiphellandrene 
beta-phenethyl angelate 
2-N-propoxy-3(5)-methyl pyrazine 
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
 undecenal mixture (aldehyde C-11 mixed)FL/FR
apple
red apple concentrateFL
balsamic
isobornyl propionateFL/FR
berry
 dihydro-alpha-iononeFL/FR
 hibiscus sabdariffa flower extractFL/FR
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
citrus
 citronella oil ceylonFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
ketoisophoroneFL/FR
 styralyl propionateFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
estery
 octyl propionateFL/FR
floral
 biphenyl 
 citronellyl acetateFL/FR
 geranium oil bourbonFL/FR
 geranium oil egyptFL/FR
beta-ironeFL/FR
 muguet carbinolFL/FR
 orris rhizome oil (iris germanica)FL/FR
fruity
red apple flavorFL
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 brambleberry flavorFL
 brandy extractFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 spicy pentanoneFL/FR
green
 geranium absoluteFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 neryl butyrateFL/FR
 phenethyl formateFL/FR
 phenethyl tiglateFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
 linalyl propionateFL/FR
honey
 phenethyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 pepper tree berry oil CO2 extractFL/FR
waxy
 hydroxycitronellal dimethyl acetalFL/FR
woody
isobornyl formateFL/FR
delta-damasconeFL/FR
(E)-beta-iononeFL/FR
beta-iononeFL/FR
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 dimethyl-2,6-octadien-1-yl 3-oxobutanoate
 dimethyl-2,6-octadien-1-yl acetoacetate
3,7-dimethyl-2,6-octadien-1-yl acetoacetate
3,7-dimethylocta-2,6-dienyl 3-oxobutanoate
 geranyl 3-oxobutanoate
 geranyl beta-ketobutyrate
 neryl acetoacetate
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