nonan-3-yl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
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 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 :
synonyms :
3-hydroxynonyl acetate
3-nonanol acetate
3-nonanyl acetate
3-nonyl acetate
3-nonyl acetate racemic

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde diisoamyl acetal
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl ether
 benzyl methyl tiglate
isobutyl acetate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 cuminyl acetate
 diethyl malate
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 geranyl tiglate
(E)-2-hexenoic acid
 hexyl tiglate
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
2-methyl allyl butyrate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
S-(methyl thio) hexanoate
 myrtenyl acetate
3-nonanone
3-octanon-1-ol
 orris capronate
2-pentanone
beta-sesquiphellandrene
isopropyl propionate
 rose undecene
 rue oil
 spathulenol
 tagete oil
 tagete oil CO2 extract
 viridiflorol

(odor and/or flavor) used in :
 fruity
 herbal

natural occurrence in :
not found in nature



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