nonan-3-yl acetate
 
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
(EINECS) number :262-444-3
cas number :60826-15-5
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
 
 
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
logp : 4.24

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 181.00  °F.  TCC  ( 82.78 °C. )
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).
publication number : 20.
4007 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 links :
 
 
(EINECS) number :262-444-3
chemidplus :060826155
EPA Substance Registry Services :60826-15-5
NLM Chemical Carcinogenesis Research Information System :60826-15-5
NLM Developmental and Reproductive Toxicity :60826-15-5
NLM Env. Mutagen Info. Center :60826-15-5
NLM GENetic TOXicology :60826-15-5
EPI System :view

other :

references :
jecfa number :1145
fl. number :09.925
pubchem :685874
synonyms :
3-hydroxynonyl acetate
 nonan-3-yl 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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