methyl nonane dione
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IUPAC name :3-methylnonane-2,4-dione
InChI :InChI=1/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3
InChIKey :BGVBGAIWXAXBLP-UHFFFAOYAZ
SMILES :CCCCCC(=O)C(C)C(=O)C
cas number :113486-29-6
fema number :4057
fl. number :07.184
molar refractivity :48.39 ± 0.3 cm3
parachor :437.5 ± 4.0 cm3
index of refraction :1.427 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.904 ± 0.06 g/cm3
polarizability :19.18 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Endeavour :3-Methylnonane-2,4-dione
97%
Givaudan :3-Methyl-2,4-nonanedione
≥97%, NI, Kosher
Odor:  Caramel,A bit burnt
Fruity, straw like notes, caramel notes.
Penta :3-methyl-2,4-nonanedione
Treatt :3-Methyl-2,4-nonanedione
organoleptics :
odor description:
fruity straw caramel burnt
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 235.00 to 236.00 °C. @ 760.00 mm Hg
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 2.81
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for methyl nonane dione fragrance usage levels up to :
  2.0000 % 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 : 21
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : -0.00100
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : 0.010000.10000
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : -0.00100
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : -0.00100
jams / jellies : --
meat products : 0.025000.30000
milk products : 0.001000.00100
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : 0.100001.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3-methylnonane-2,4-dione
chemidplus :113486296
EPA Substance Registry Services :113486-29-6
references :
 
3-methylnonane-2,4-dione
fl. number :07.184
NIST Chemistry WebBook :3850980689
pubchem :11077515
Flavornet :113486-29-6
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3-methyl nona-2,4-dione
 methyl nonanedione
3-methyl-2,4-nonane dione
3-methyl-2,4-nonanedione
3-methylnonane-2,4-dione
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cyclohexyl acetic acidFL
 diacetylFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 levulinic acidFL
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 amber
 caramel
 fruity
 hay new mown hay foin coupe
 musk
 sandalwood
 straw
 tea
 woody
natural occurrence in :    note
PbMdtea green tea  

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