nonan-3-yl acetate
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :nonan-3-yl acetate
InChI :InChI=1/C11H22O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h11H,4-9H2,1-3H3
InChIKey :GPBFEZPGSQXMPX-UHFFFAOYAV
SMILES :CCCCCCC(CC)OC(=O)C
cas number :60826-15-5
(EINECS) number :262-444-3
fema number :4007
jecfa number :1145
fl. number :09.925
molar refractivity :54.74 ± 0.3 cm3
parachor :491.9 ± 4.0 cm3
index of refraction :1.425 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :21.70 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 186.2911800 (IUPAC)
formula :C11 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  
herbal fruity ethereal

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85400 to 0.86400 @ 25.00 °C.
pounds per gallon - calc. : 7.106 to 7.189
refractive index :1.41600 to 1.42300 @ 20.00 °C.
boiling point : 224.00 to 225.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.15800 mm/Hg @ 25.00 °C.
flash point : 181.00  °F.  TCC  ( 82.78 °C. )
logP (o/w) : 4.24

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.00 (μg/capita/day)
 
recommendation for nonan-3-yl acetate fragrance usage levels up to :
  6.0000 % 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 on the "LIBRARY" link.
publication number : 20
 average usual ppmaverage maximum ppm
baked goods : 9.0000018.00000
beverages(nonalcoholic) : 6.0000012.00000
beverages(alcoholic) : 6.0000012.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 7.0000014.00000
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 8.0000016.00000
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 : 7.0000014.00000
soups : --
sugar substitutes : --
sweet sauces : --

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
Canada Domestic Sub. List :Yes
 
 
 
 
nonan-3-yl acetate
(EINECS) number :262-444-3
chemidplus :060826155
EPA Substance Registry Services :60826-15-5

references :
 
nonan-3-yl acetate
fl. number :09.925
jecfa number :1145
NIST Chemistry WebBook :60826155
pubchem :685874

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3-hydroxynonyl acetate
3-nonanol acetate
3-nonanyl acetate
3-nonyl acetate
3-nonyl acetate racemic

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 acetaldehyde diisoamyl acetalFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl etherFL/FR
 benzyl methyl tiglateFL
isobutyl acetateFL/FR
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
 butyl levulinateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
 cassis methanolFR
 chamomile propionateFR
 cuminyl acetateFL/FR
 diethyl malateFL
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 geranyl tiglateFL/FR
(E)-2-hexenoic acidFL
 hexyl tiglateFL/FR
 jasmin absoluteFL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL/FR
2-methyl allyl butyrateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isovalerateFL/FR
 methyl hexyl etherFL/FR
S-(methyl thio) hexanoateFL/FR
 myrtenyl acetateFL/FR
3-nonanoneFL/FR
3-octanon-1-olFL/FR
 orris capronateFL/FR
2-pentanoneFL
beta-sesquiphellandreneFL/FR
isopropyl propionateFL/FR
 rose undeceneFR
 rue oilFL/FR
 spathulenolFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 viridiflorolFL/FR

potential uses :
 fruity
 herbal

natural occurrence in :
 not found in nature  



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