3-nonanon-1-yl acetate
(+/-)-nonan-3-yl acetate
 
Notes:
Flavouring ingredient [DFC]
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CAS Number: 7779-54-6Picture of molecule3D/inchi
Nikkaji Web: J1.536.539K
CoE Number: 2076
XlogP3-AA: 2.20 (est)
Molecular Weight: 200.27800000
Formula: C11 H20 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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FDA Mainterm (SATF):7779-54-6 ; 3-NONANON-1-YL ACETATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.83200 @  25.00 °C.
Boiling Point: 203.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 244.00 °F. TCC ( 117.60 °C. ) (est)
logP (o/w): 2.768 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 520.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 fruity  floral  waxy  reseda  
Odor Description:
at 100.00 %. 		fruity floral waxy mignonette
 
 
Flavor Type: fruity
 
 peach  
Taste Description:
peach
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-nonanon-1-yl acetate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-nonanon-1-yl acetate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for 3-nonanon-1-yl acetate flavor usage levels up to:
  18.0000 ppm in the finished product.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12678469
National Institute of Allergy and Infectious Diseases: Data
 3-oxononyl acetate
Chemidplus: 0007779546
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References:
 3-oxononyl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 12678469
Pubchem (sid): 135262954
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB37179
FooDB: FDB016177
Export Tariff Code: 2915.39.9050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
aldehydic
 adoxal (Givaudan)FL/FR
 aldehydic fragranceFR
9-decenalFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
 mandarine undecenalFL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
(Z)-8-undecenalFR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
3-phenyl propyl alcoholFL/FR
berry
 currant fragranceFR
 gooseberry fragranceFR
 huckleberry fragranceFR
citrus
 citral diethyl acetalFL/FR
 citronellyl nitrileFR
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
10-undecen-1-olFL/FR
earthy
 methyl undecylenateFL/FR
ethereal
3-cyclohexyl propyl acetate 
fatty
 butyl undecylenateFL/FR
 decanolFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
 boronia specialtyFR
 cassie specialty (acacia farnesiana)FR
 cherry blossom fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cyclohexyl ethyl alcoholFL/FR
 cymbopogon validus leaf oilFR
gamma-damasconeFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl 2-benzyl butyrateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
(±)-4-ethyl octanalFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl propionateFL/FR
 hexyl 2-furoateFL/FR
 hibiscus fragranceFR
 hydroxycitronellal dimethyl acetalFL/FR
 ionone mixed isomersFL/FR
 iris specialtyFR
 jasmin cyclopentanoneFR
 jasmin fragranceFR
 jasmin oil CO2 extractFL/FR
 jasmin specialtyFR
isojasmoneFL/FR
 lavandulolFR
 lily flower absoluteFR
 lily of the valley fragranceFR
 lily of the valley specialtyFR
 linalyl butyrateFL/FR
 longoza absolute replacerFR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl citronellateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orchid fragranceFR
 orchid specialtyFR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome concrete replacerFR
 orris rhizome resinoid (iris pallida)FL/FR
 orris rhizome resinoid replacerFR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 peony fragranceFR
 petitgrain mandarin oilFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose blossom pentanolFR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 stephanotis flower absolute replacerFR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 allyl benzoateFR
red apple fragranceFR
 apricot essenceFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 berry hexanoateFR
 butyl 2-naphthyl etherFL/FR
isobutyl anthranilateFL/FR
isobutyl citral 
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl levulinateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
 ginseneFR
 guava fragranceFR
 heptyl isobutyrateFL/FR
 linalool oxide acetatesFL/FR
 melon fragranceFR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 papaya fragranceFR
 papaya specialtyFR
 peach nitrileFR
 plum damascone (high alpha)FR
 rhubarb pyranFR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
cis-woody acetateFR
green
isoamyl 3-(2-furan) propionateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 ethyl decine carbonate 
 heptyl formateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 melon nonenoateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
 phenoxyethyl isobutyrateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 clary propyl acetateFR
 geranium cyclohexaneFR
 marigold absolute (tagetes patula)FR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
medicinal
ortho-cresyl acetateFL/FR
melon
 melon specialtyFR
mentholic
laevo-menthyl acetateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
 crocus sativus stigma tinctureFR
 honey extractCS
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 spicy acetoacetateFL/FR
tropical
 triflaige A (ZEON)FR
waxy
 decanal dimethyl acetalFL/FR
(E)-5-decen-1-ol 
 dihydrocitronellyl acetateFL/FR
 ethyl laurateFL/FR
 geranyl undecylenateFR
(E)-methyl geranateFL/FR
1,8-octane dinitrile 
 phytyl acetateFL/FR
woody
2-decalinyl acetateFR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl citral 
2-butyl thiopheneFL
ortho-cresyl acetateFL/FR
3-cyclohexyl propyl acetate 
 decanal dimethyl acetalFL/FR
(E)-5-decen-1-ol 
9-decenalFL/FR
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl decine carbonate 
 ethyl ethyl anthranilateFL/FR
(±)-4-ethyl octanalFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 mandarine undecenalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
1,8-octane dinitrile 
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
10-undecen-1-olFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 citral diethyl acetalFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 heptyl formateFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 jasmin oil CO2 extractFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
 methyl citronellateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 tropical iononeFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
 cyclohexyl ethyl alcoholFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl 2-furoateFL/FR
isojasmoneFL/FR
 melon nonenoateFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 phenethyl isobutyrateFL/FR
minty
laevo-menthyl acetateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
3-phenyl propyl alcoholFL/FR
 spicy acetoacetateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 adoxal (Givaudan)FL/FR
 butyl undecylenateFL/FR
 decanolFL/FR
 ethyl laurateFL/FR
 geranyl propionateFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 methyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 phenethyl hexanoateFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 apricotFR
 carnationFR
 chypreFR
 fernFR
 peachFR
 resedaFR
 roseFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1-(acetyl oxy)-3-nonanone
1-(acetyloxy)-3-nonanone
 ethyl hexyl carbinyl acetate
 ethylhexylcarbinyl acetate
1-hydroxy-3-nonanone acetate
 methylol methyl hexyl ketone acetate
(+/-)-nonan-3-yl acetate
(±)-nonan-3-yl acetate
3-nonanone, 1-(acetyloxy)-
3-nonanone, 1-hydroxy-, acetate
3-nonanone, 1-hydroxy, acetate
3-oxononanyl acetate
3-ketononyl acetate
sec-nonyl acetate
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