isoamyl nonanoate
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Notes :
Similar to ethyl nonanoate.
 
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IUPAC name :3-methylbutyl nonanoate
InChI :InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
InChIKey :SHGMLOSSRPFLKG-UHFFFAOYAZ
SMILES :CCCCCCCCC(=O)OCCC(C)C
cas number :7779-70-6
(EINECS) number :231-933-3
fema number :2078
coe number :391
jecfa number :48
fl. number :09.110
molar refractivity :68.64 ± 0.3 cm3
parachor :611.2 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :28.9 ± 3.0 dyne/cm
density :0.866 ± 0.06 g/cm3
polarizability :27.21 ± 0.5 10-24cm3
XlogP : 5.80
XlogP3-AA : 5.30
molecular weight : 228.3709200 (IUPAC)
formula :C14 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2915.90.0000
fda reg :172.515
Suppliers :
Grau Aromatics :iso-AMYL-PELARGONATE (iso-AMYLNONANOATE)
NI, Kosher
Penta :isoamyl nonanoate
SAFC Global® :Isoamyl nonanoate
≥96%
Odor:  apricot; floral
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity oily apricot floral
properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86000 @ 25.00 °C.
refractive index :1.43200 @ 20.00 °C.
boiling point : 260.00 to 261.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 5.84
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for isoamyl nonanoate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for isoamyl nonanoate flavor usage levels up to :
  5.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
3-methylbutyl nonanoate
(EINECS) number :231-933-3
chemidplus :007779706
EPA Substance Registry Services :7779-70-6
references :
 
3-methylbutyl nonanoate
fl. number :09.110
jecfa number :48
NIST Chemistry WebBook :3976398533
pubchem :204210
other :
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
isoamyl nonylate
isoamyl pelargonate
3-methyl butyl nonanoate
3-methyl pelargonate
3-methylbutyl nonanoate
isopentyl nonanoate
isopentyl nonylate
Similar Products:    note
 allyl nonanoate
 amyl nonanoate
 benzyl nonanoate
 butyl nonanoate
isobutyl nonanoate
 ethyl nonanoate
 geranyl nonanoate
 heptyl nonanoate
 hexyl nonanoate
 methyl nonanoate
 nonyl nonanoate
 octyl nonanoate
 phenethyl nonanoate
 propyl nonanoate
isopropyl nonanoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetal 318FR
 acetaldehyde methyl hexyl acetalFR
1-acetyl cyclohexyl acetateFL
 acetyl methyl anthranilateFL/FR
 allyl cyclohexyl valerateFL
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
 allyl propionateFL/FR
 allyl salicylateFR
isoamyl 3-(2-furan) propionateFL/FR
 amyl acetateFL/FR
isoamyl acetateFL/FR
isoamyl acetoacetateFL/FR
isoamyl alcoholFL
 amyl angelateFL
isoamyl angelateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl heptanoateFL/FR
isoamyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl laurateFL/FR
 amyl octanoateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
para-anisyl formateFL/FR
 apricot isobutyrateFR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde dimethyl acetalFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl butyrateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl heptanoateFR
 benzyl hexanoateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
2-butanolCS
isobutyl 2-butenoateFL/FR
 butyl acetateFL/FR
isobutyl acetateFL/FR
isobutyl acetoacetateFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
 butyl decanoateFL/FR
isobutyl decanoateFL/FR
 butyl decylenateFL/FR
isobutyl furyl propionateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl nonanoateFL/FR
isobutyl propionateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
isobutyraldehyde propylene glycol acetalFL
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
 cognac heptanoneFL/FR
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
 decen-1-yl cyclopentanoneFL/FR
 diethyl 1-malateFL
 diethyl laevo-tartrateFL
 diethyl malateFL
 diethyl maleateFL
 diethyl sebacateFL/FR
2,4-difurfuryl furanFL
 dihydroactinidolideFL
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 ethyl 2-furoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl aconitateFL
2-ethyl butyl acetateFL/FR
 ethyl chrysanthemateFR
 ethyl cyclopentenoloneFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
4-ethyl octanoic acidFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
 fruity cyclopentanoneFR
 fruity ketalFL/FR
 furfuryl acetateFL/FR
 furfuryl propionateFL
2-furyl pentyl ketoneFL
 geraniolFL/FR
 geranyl acetoacetateFL/FR
 geranyl isobutyrateFL/FR
 heliotropyl acetateFL/FR
2-heptanolFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl acetateFL/FR
 heptyl isobutyrateFL/FR
 heptyl propionateFR
2-hexanolFL/FR
(E)-2-hexen-1-alFL/FR
(E)-2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl acetateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl phenyl acetateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 jasmin lactoneFL/FR
 leather propionateFR
 linalyl butyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 maltyl isobutyrateFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl (E)-2-hexenoateFL
 methyl (E)-cinnamateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-methyl valerateFL
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl acetateFL/FR
 methyl butyrateFL
 methyl cinnamateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl hydrocinnamateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl nonanoateFL
 methyl propionateFL/FR
2-methyl-1-butanolFL/FR
2-methyl-2-pentenoic acidFL/FR
(E)-7-methyl-3-octen-2-oneFL
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
3-nonanon-1-yl acetateFL/FR
(E)-2-octen-1-alFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 peach cyclopentanoneFR
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl senecioateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
 propionaldehydeFL
isopropyl acetateFL/FR
isopropyl benzoateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl octanoateFL/FR
 propyl phenyl acetateFL/FR
isopropyl propionateFL/FR
 rhubarb pyranFR
 rose undeceneFR
 rum etherFL/FR
 sorbyl butyrateFL/FR
 sorbyl propionateFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 terpinyl cinnamateFL/FR
 terpinyl valerateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydroionyl acetateFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
gamma-undecalactoneFL/FR
 violet methyl carbonateFR
potential uses :
 apricot
 banana
 cognac
 strawberry
 whiskey
natural occurrence in :    note
 banana  
 strawberry S
 whiskey  

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