hexyl nonanoate
nonanoic acid, hexyl ester
 
Notes:
Used as a food additive [EAFUS]
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hexyl nonanoate (Click)
CAS Number: 6561-39-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 229-488-5
FDA UNII: R71E988O4U
Nikkaji Web: J115.094D
XlogP3-AA: 6.00 (est)
Molecular Weight: 242.40250000
Formula: C15 H30 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1873  hexyl nonanoate
FEMA Number: 4339  hexyl nonanoate
FDA Mainterm: HEXYL NONANOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85800 to 0.86300 @  20.00 °C.
Pounds per Gallon - (est).: 7.148 to  7.189
Refractive Index: 1.43100 to 1.43600 @  20.00 °C.
Boiling Point: 291.00 to  292.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 266.00 °F. TCC ( 130.00 °C. )
logP (o/w): 6.390 (est)
Soluble in:
 alcohol
 water, 0.1577 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl nonanoate
amyl nonanoate
isoamyl nonanoate
benzyl nonanoate
butyl nonanoate
isobutyl nonanoate
ethyl nonanoate
geranyl nonanoate
heptyl nonanoate
methyl nonanoate
nonyl nonanoate
octyl nonanoate
phenethyl nonanoate
propyl nonanoate
isopropyl nonanoate
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 brandy  green  vegetable  fruity  
Odor Description:
at 100.00 %. 
brandy green vegetable fruity
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Nonanoic acid, hexylester
BOC Sciences
For experimental / research use only.
Hexyl nonan-1-oate
Inoue Perfumery
HEXYL NONANOATE
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
Recommendation for hexyl nonanoate usage levels up to:
  12.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.4000010.00000
beverages(nonalcoholic): 10.00000100.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 10.00000200.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.4000010.00000
fish products: --
frozen dairy: 0.200002.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.4000010.00000
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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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 81045
National Institute of Allergy and Infectious Diseases: Data
 hexyl nonanoate
Chemidplus: 0006561393
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References:
 hexyl nonanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 81045
Pubchem (sid): 135037979
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32328
FooDB: FDB009581
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
 hexyl cinnamateFR
citrus
(R)-citronellyl nitrileFR
 citrus specialtyFR
2-heptanolFL/FR
4-methyl-2-(1-methyl propyl)-1,3-oxathiane 
bitter orange peel oil brazilFL/FR
 cyclohexyl formateFL/FR
 decyl propionateFL/FR
 ethyl formateFL/FR
2-methyl valeraldehydeFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
(Z)-2-octenal 
fermented
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 cassis cyclohexeneFR
gamma-damasconeFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 hexyl lactateFL/FR
 jasmin cyclopentanolFR
(Z)-jasmoneFL/FR
(2-methoxy-1-methyl propyl) benzeneFR
para-methyl benzyl acetateFL/FR
 methyl citronellateFL/FR
 methyl nerate 
 papaya isobutyrateFL/FR
 tilia cordata flower oil CO2 extractFR
fruity
 allyl amyl glycolateFR
 allyl butyrateFL/FR
3-allyl oxy-1,4-dimethyl bicyclo(3.2.1)octaneFR
isoamyl butyrateFL/FR
 amyl lactateFL/FR
isobutyl acetoacetateFL/FR
 butyl acetoacetateFL/FR
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
 butyl formateFL/FR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
endo-ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 fig crotonateFR
 fruity butanateFR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
4-heptanoneFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
 heptyl valerateFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
2-hydroxy-5-pentyl tetrahydrofuran 
 methyl heptanoateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
3-methyl-4-penten-1-yl angelate 
 nerolidyl isobutyrateFR
(Z)-6-nonen-1-al dimethyl acetalFR
 octen-1-yl cyclopentanoneFL/FR
(Z)-6-octenal 
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
 propylene glycol monohexanoate 
 rhubarb undecaneFR
(E,E)-sorbyl butyrateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
1,3,3,5-tetramethyl-7-carbomethoxybicyclo(2.2.2)octane 
1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)octane 
 tropical specialtyFR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 actinidia chinensis fruit waterFR
 actinidia chinensis seed extractCS
 allyl phenethyl etherFR
beta-bisabolenal 
2-isobutyl pyrazineFL/FR
 cucumber essenceFL/FR
black currant bud absolute replacerFL/FR
3-cyclohexyl propyl isobutyrate 
3-cyclohexyl propyl propionate 
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum specialtyFR
 geranium thiazoleFL/FR
 green dioxolaneFR
 green note propionateFL/FR
 herbal cyclohexaneFR
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
4-hexenolFL/FR
3-hexenyl acetateFL/FR
(Z)-3-hexenyl methyl etherFR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
4-mercapto-5-nonanone 
 methyl (E)-3-hexenoateFL/FR
 methyl R-3-acetoxyhexanoate 
 neogallFR
2-octen-1-olFL/FR
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
2-isopropoxy-3(5)-methyl pyrazine 
isopropyl decanoateFL/FR
 propylene acetalFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 anthemis nobilis flower oil romanFL/FR
3-butylidene phthalideFL/FR
6-methoxy-2,6-dimethyl octanalFR
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
isopropyl tiglateFL/FR
soapy
 ethyl undecanoateFL/FR
spicy
 cinnamyl propionateFL/FR
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
sulfurous
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
endo-1,2,3,3-tetramethyl bicyclo(2.2.1)heptan-2-olFR
waxy
(E,E)-2,4-dodecadien-1-ol 
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
trans-hexanal propylene glycol acetal 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
 propyl decanoateFL/FR
winey
 heptyl decanoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
woody
2-N-propoxy-3(5)-methyl pyrazine 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 actinidia chinensis fruit juiceFL
 allyl levulinateFL
 allyl tiglateFL
 amyl lactateFL/FR
beta-bisabolenal 
 butyl acetoacetateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
isobutyl octanoateFL/FR
2-isobutyl pyrazineFL/FR
 cinnamyl hexanoateFL/FR
3-cyclohexyl propyl isobutyrate 
3-cyclohexyl propyl propionate 
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 decyl propionateFL/FR
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
 heptyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
trans-hexanal propylene glycol acetal 
2-hexenalFL
(E)-3-hexenalFL
2-hexenal diethyl acetalFL
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 hexyl valerateFL/FR
2-hydroxy-5-pentyl tetrahydrofuran 
4-mercapto-5-nonanone 
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
 methyl 3-hydroxybutyrateFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
(E)-methyl geranateFL/FR
 methyl nerate 
 methyl octadienoateFL/FR
4-(methyl thio) butanolFL
4-methyl-2-(1-methyl propyl)-1,3-oxathiane 
2-methyl-3-heptanoneFL
3-methyl-4-penten-1-yl angelate 
2-methyl-6-propoxypyrazineFL
(E,E)-3,5-octadien-2-oneFL
(Z)-6-octenal 
(Z)-2-octenal 
3-octyl butyrateFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
2-isopropoxy-3(5)-methyl pyrazine 
2-N-propoxy-3(5)-methyl pyrazine 
 propyl decanoateFL/FR
isopropyl decanoateFL/FR
2-isopropyl pyridineFL
2-isopropyl-3-(methyl thio) pyrazineFL
 propylene acetalFL/FR
 propylene glycol monohexanoate 
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
1,3,3,5-tetramethyl-7-carbomethoxybicyclo(2.2.2)octane 
1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)octane 
 viridiflorolFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
celery
3-butylidene phthalideFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
ethereal
 ethyl formateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
2-octen-1-olFL/FR
floral
 cinnamyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 methyl citronellateFL/FR
fruity
isoamyl benzoateFL/FR
 boronia absoluteFL/FR
isobutyl acetoacetateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
black currant bud absolute replacerFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
2-heptanolFL/FR
4-heptanoneFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 kiwi distillatesFL
 methyl (E)-2-octenoateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
 octen-1-yl cyclopentanoneFL/FR
bitter orange peel oil brazilFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
 cucumber essenceFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 geranium thiazoleFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(E,E)-2,4-hexadienalFL
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
3-(5-methyl-2-furyl) butanalFL
4-methyl-2-pentenalFL
 papaya isobutyrateFL/FR
1-penten-3-olFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
herbal
 anthemis nobilis flower oil romanFL/FR
 tagete oil indiaFL/FR
metallic
4-hexenolFL/FR
minty
 carvyl acetateFL/FR
 thiogeraniolFL/FR
pungent
 acetaldehydeFL
sour
3-methyl valeric acidFL
sulfurous
 methyl benzyl disulfideFL
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 brandyFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 hexyl nonan-1-oate
 hexyl pelargonate
 nonanoic acid hexyl ester
 nonanoic acid, hexyl ester
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
PubMed: Dehalococcoides mccartyi gen. nov., sp. nov., obligately organohalide-respiring anaerobic bacteria relevant to halogen cycling and bioremediation, belong to a novel bacterial class, Dehalococcoidia classis nov., order Dehalococcoidales ord. nov. and family Dehalococcoidaceae fam. nov., within the phylum Chloroflexi.
PubMed: Chain length dependency of fatty acid and carbamate binding to serum albumin.
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