acetyl nonyryl
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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
Molar Refractivity :53.06 ± 0.3 cm3 (est)
Parachor :479.9 ± 4.0 cm3 (est)
Index of Refraction :1.432 ± 0.02 (est)
Surface Tension :30.4 ± 3.0 dyne/cm (est)
Density :0.901 ± 0.06 g/cm3 (est)
Polarizability :21.03 ± 0.5 10-24cm3 (est)
XlogP : 3.40 (est)
XlogP3-AA : 3.10 (est)
Molecular Weight : 184.2753000 (IUPAC) (PT) (112)
Formula :C11 H20 O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 417
Fl@vouring Number : 07.021
FDA Mainterm : 2,3-UNDECADIONE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Nanjing :2,3-undecadione
orders in chinese.
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
Odor Description:
Waxy, aldehydic, slightly rancid, creamy and fatty with dairy and vegetative nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
Taste Description:
creamy coconut milky
Taste Description:
at 2.50 ppm.  
Aldehydic, creamy, buttery and dairy-like with waxy, rancid and fat nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)

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 Ppoint : 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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0037 (μg/capita/day)
 
Recommendation for acetyl nonyryl fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
Recommendation for acetyl nonyryl flavor 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
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

Potential Blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl propionylFL/FR
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
6-amyl-alpha-pyroneFL/FR
 benzyl lactateFL/FR
 benzylidene acetoneFL
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
isobutyl methyl ketoneFL/FR
 butyl octanoateFL/FR
 butyl undecylenateFL/FR
 butyric acidFL
2-oxobutyric acidFL
isobutyric acidFL
 butyroinFL
gamma-butyrolactoneFL/FR
 cinnamyl benzoateFL/FR
 coconut decanoneFR
 coffee furanoneFL
 creamy lactoneFL/FR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 decanal diethyl acetalFL/FR
6-decenoic acidFL
 diacetylFL
 diacetyl trimerFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
ortho-dimethyl hydroquinoneFL/FR
2,5-dithiahexaneFL
delta-dodecalactoneFL/FR
delta-2-dodecenolactoneFL/FR
2-ethyl butyric acidFL/FR
 ethyl lactateFL/FR
 ethyl palmitateFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 farnesyl acetoneFL/FR
 geranyl oxyacetaldehydeFR
(E)-geranyl oxyacetaldehydeFR
 green carbaldehydeFR
 heptanal 2,3-butane diol acetalFL
2,3-heptane dioneFL/FR
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
3,4-hexane dioneFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 jasmin pyranoneFL/FR
 levulinic acidFL
 linalyl butyrateFL/FR
(R)-massoia lactoneFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
3-methyl butyl 2-furyl butyrateFL
6-methyl coumarinFL
3-methyl crotonic acidFL
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
4-methyl octanoic acidFL
3-(methyl thio) hexanalFL
3-(methyl thio) methyl thiopheneFL
S-(methyl thio) propionateFL
 mint lactoneFL/FR
 muguet butanalFR
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18)FL/FR
 nonanal (aldehyde C-9)FL/FR
 nonanoic acidFL
2-nonanolFL/FR
1-nonen-3-olFL/FR
2,4-octadien-1-olFL
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
 octanal (aldehyde C-8)FL/FR
3-octen-2-olFL/FR
1-octen-3-yl butyrateFL/FR
 octyl 2-furoateFL
 octyl isobutyrateFL/FR
(E)-2-pentenoic acidFL
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
 strawberry furanone acetateFL/FR
delta-tetradecalactoneFL/FR
3-tetrahydrothiophenoneFL
 tmh aldehydeFR
2-tridecanoneFL/FR
(E,E)-2,4-undecadien-1-alFL
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14)FL/FR
N-/i-undecanalFR
 undecanoic acidFL/FR
8-undecen-1-alFR
 vanilla oleoresin baliFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 waxy aldehydeFR
 waxy lactoneFL/FR
 waxy undecadienolFR

Potential Uses :
 celeryFL/FR
 cheeseFL
 coconutFR
 creamFR
 dairyFL
 fungus mushroomFR

Natural Occurrence in :    note
 not found in nature  



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