EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl nonane dione
3-methyl-2,4-nonanedione

Supplier Sponsors

Flavor Demo Formulas
Name:3-methylnonane-2,4-dione
CAS Number: 113486-29-6Picture of molecule3D/inchi
FDA UNII:854O7EVF99
Nikkaji Web:J518.622F
MDL:MFCD08741451
XlogP3-AA:2.30 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
(R)- or (S)-enantiomer not specified by CASrn in Register. Racemate (EFFA, 2014).
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2032 3-methyl-2,4-nonanedione
FLAVIS Number:07.184 (Old)
DG SANTE Food Flavourings:07.184 3-methylnonane-2,4-dione
FEMA Number:4057 3-methyl-2,4-nonanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):113486-29-6 ; 3-METHYL-2,4-NONANEDIONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92300 to 0.92700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.680 to 7.714
Refractive Index:1.44800 to 1.45400 @ 20.00 °C.
Boiling Point: 235.00 to 236.00 °C. @ 760.00 mm Hg
Boiling Point: 51.00 to 53.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.044000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 2.661 (est)
Soluble in:
 alcohol
 diethyl ether
 hexane
 water, 511.4 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity hay caramellic burnt
Odor Description:at 10.00 % in dipropylene glycol. fruity straw caramel burnt
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
3-Methyl-2,4-nonanedione Halal, Kosher
Odor Description:straw-like, fruity
Taste Description:straw-like, fruity
Reported critical to a good tea flavour; used at 0.001ppm in beverages; and at 0.35 in meat and fish flavours. Use is also suggested in exotic fruit flavours - apricot/peach/mango; and in honey - at 0.1-1ppm.
FCI SAS
3 METHYL 2,4 NONANEDIONE
Odor Description:Fruity, Caramel, Apricot, Peach
Taste Description:Fruity, Apricot, Peach
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Methyl-2,4-nonanedione
BOC Sciences
For experimental / research use only.
3-Methyl-2,4-Nonanedione > 95%
Carbosynth
For experimental / research use only.
3-Methylnonane-2,4-dione
FCI SAS
3 METHYL 2,4 NONANEDIONE
Odor: Fruity, Caramel, Apricot, Peach
Flavor: Fruity, Apricot, Peach
Parchem
methyl nonane dione
Penta International
3-METHYL-2,4-NONANEDIONE
R C Treatt & Co Ltd
3-Methyl-2,4-nonanedione
Halal, Kosher
Odor: straw-like, fruity
Flavor: straw-like, fruity
Reported critical to a good tea flavour; used at 0.001ppm in beverages; and at 0.35 in meat and fish flavours. Use is also suggested in exotic fruit flavours - apricot/peach/mango; and in honey - at 0.1-1ppm.
Santa Cruz Biotechnology
For experimental / research use only.
3-Methylnonane-2,4-dione
Synerzine
3-Methyl-2,4-nonanedione
Tianjin Danjun International
3-Methyl-2,4-nonanedione
Vigon International
METHYL-3 2,4 NONADIONE
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for methyl nonane dione usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.35 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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 Flavor Ingredient Library
publication number: 21
Click here to view publication 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: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):113486-29-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529481
National Institute of Allergy and Infectious Diseases:Data
3-methylnonane-2,4-dione
Chemidplus:0113486296
 
References:
 3-methylnonane-2,4-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529481
Pubchem (sid):135293811
Flavornet:113486-29-6
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB34880
FooDB:FDB013455
Export Tariff Code:2914.50.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-Methyl-2,4-nonedione
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
balsamic
2-
acetyl furan
FL/FR
bready
furfural
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
coffee
coffee fragrance
FR
coumarinic
tonka bean resinoid
FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
boronia concrete
FL/FR
fruity
cherry oxyacetate
FL/FR
(E)-
ethyl tiglate
FL/FR
octyl crotonate
FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
herbal
butyl levulinate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
honey extract
CS
(E)-
tiglic acid
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
boronia concrete
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
menthone lactone
FL/FR
rosefuran
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
bready
mango furanone
FL
brown
2-oxo
butyric acid
FL/FR
furfural
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coffee
coffee distillates
FL
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
fatty
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
fruity
cherry oxyacetate
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
iso
valeraldehyde propylene glycol acetal
FL/FR
green
immortelle absolute
FL/FR
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
 
Potential Uses:
FRamber
FRapricot
FLcaramel
FLfish
FRfruit
FRhay new mown hay
FRhoney
FRmango
FLmeat
FRmusk
FRpeach
FRsandalwood
 straw
FLtea
FRwoody
 
Occurrence (nature, food, other):note
 parsley
Search Trop Picture
 tea black tea
Search Trop Picture
 tea green tea
PbMd Search Trop Picture
 
Synonyms:
3-methyl nona-2,4-dione
 methyl nonanedione
3-methyl-2,4-nonandione
3-methyl-2,4-nonane dione
3-methyl-2,4-nonanedione
3-methylnona-2,4-dione
3-methylnonane-2,4-dione
 nonane-2,4-dione, 3-methyl-
2,4-nonanedione, 3-methyl-
 

Articles:

PubMed:Role of 3-methyl-2,4-nonanedione in the flavor of aged red wines.
PubMed:Identification of the key odorants in Tahitian cured vanilla beans (Vanilla tahitensis) by GC-MS and an aroma extract dilution analysis.
PubMed:Determination of 3-methyl-2,4-nonanedione in red wines using methanol chemical ionization ion trap mass spectrometry.
PubMed:Identification of volatile compounds responsible for prune aroma in prematurely aged red wines.
PubMed:New constituents related to 3-methyl-2,4-nonanedione identified in green tea.
PubMed:Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles.
PubMed:Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions.
PubMed:Identification of potent odorants in different green tea varieties using flavor dilution technique.
PubMed:Practical synthesis of 3-methylnonane-2,4-dione, an intense strawlike and fruity flavored compound.
 
Notes:
The major contributor to light-induced flavour reversion in soybean oil and to off-flavour development in dried parsley and spinach. Present in green tea aroma
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