acetyl nonyryl
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :undecane-2,3-dione
InChI :InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3
InChIKey :RMMFUALOIIVORL-UHFFFAOYAZ
SMILES :CCCCCCCCC(=O)C(=O)C
cas number :7493-59-6
(EINECS) number :231-330-5
fema number :3090
coe number :155
jecfa number :417
fl. number :07.021
molar refractivity :53.06 ± 0.3 cm3
parachor :479.9 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.901 ± 0.06 g/cm3
polarizability :21.03 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3-AA : 3.10
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Nanjing :2,3-undecadione
Penta :acetyl nonyryl

organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
waxy aldehydic creamy fatty dairy

properties :
appearence :yellow clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 109.00 to 111.00 °C. @ 10.00 mm Hg
flash point : 189.00  °F.  TCC  ( 87.22 °C. )
logP (o/w) : 2.39

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) :0.0037 (μg/capita/day)
 
recommendation for acetyl nonyryl usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for acetyl nonyryl usage levels up to :
  2.5000 ppm in the flavor.

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
 
WGK Germany :3
 
 
 
 undecane-2,3-dione
(EINECS) number :231-330-5
chemidplus :007493596
EPA Substance Registry Services :7493-59-6

references :
 undecane-2,3-dione
fl. number :07.021
jecfa number :417
pubchem :197661

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetyl nonanoyl
 acetyl pelargonyl
 undeca-2,3-dione
2,3-undecadione
 undecane-2,3-dione

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl propionyl
 allyl methyl trisulfide
 allyl nonanoate
6-amyl-alpha-pyrone
 benzyl lactate
 benzylidene acetone
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
isobutyl methyl ketone
 butyl octanoate
 butyl undecylenate
 butyric acid
2-oxobutyric acid
isobutyric acid
 butyroin
gamma-butyrolactone
 cinnamyl benzoate
 coconut decanone
 coffee furanone
 creamy lactone
 dairy lactone
delta-decalactone
gamma-decalactone
 decanal diethyl acetal
6-decenoic acid
 diacetyl
 diacetyl trimer
5,5-dibutyl dihydrofuran-2(3H)-one
1,2-dimethoxybenzene
alpha,alpha-dimethyl anisyl acetone
2,5-dithiahexane
delta-dodecalactone
delta-2-dodecenolactone
2-ethyl butyric acid
 ethyl lactate
 ethyl palmitate
2-ethyl pyrazine
 ethyl undecanoate
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 farnesyl acetone
 geranyl oxyacetaldehyde
(E)-geranyl oxyacetaldehyde
 green carbaldehyde
 heptanal 2,3-butane diol acetal
2,3-heptane dione
(Z)-4-hepten-1-al
(Z)-4-hepten-1-al diethyl acetal
(Z)-4-hepten-1-ol
3-heptyl dihydro-5-methyl-2(3H)-furanone
3,4-hexane dione
(Z)-3-hexen-1-yl butyrate
 jasmin pyranone
 levulinic acid
 linalyl butyrate
 massoia lactone
 methional
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
3-methyl butyl 2-furyl butyrate
6-methyl coumarin
3-methyl crotonic acid
2-methyl heptanoic acid
 methyl laurate
4-methyl octanoic acid
3-(methyl thio) hexanal
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
 mint lactone
 muguet butanal
delta-nonalactone
gamma-nonalactone
 nonanal
 nonanoic acid
2-nonanol
1-nonen-3-ol
2,4-octadien-1-ol
delta-octalactone
gamma-octalactone
 octanal
3-octen-2-ol
1-octen-3-yl butyrate
 octyl 2-furoate
 octyl isobutyrate
(E)-2-pentenoic acid
 prenyl isobutyrate
 sodium 4-methyl-2-oxovalerate
 strawberry furanone acetate
delta-tetradecalactone
3-tetrahydrothiophenone
 tmh aldehyde
2-tridecanone
(E,E)-2,4-undecadien-1-al
delta-undecalactone
gamma-undecalactone
N-/i-undecanal
 undecanoic acid
8-undecen-1-al
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl alcohol
 vanillyl isobutyrate
 vanillylidene acetone
 waxy aldehyde
 waxy lactone
 waxy undecadienol

(odor and/or flavor) used in :
 celery
 cheese
 coconut
 cream
 dairy
 mushroom

natural occurrence in :
not found in nature



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