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Flavor Demo Formulas
CAS Number: 544409-58-7Picture of molecule3D/inchi
Nikkaji Web:J1.919.634H
XlogP3-AA:1.30 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
FEMA Number:4687 ()-3-hydroxy-3-methyl-2,4-nonanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):544409-58-7 ; ()-3-HYDROXY-3-METHYL-2,4-NONANEDIONE
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 275.00 °F. TCC ( 134.80 °C. ) (est)
logP (o/w): 3.390 (est)
Soluble in:
 water, 719 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: earthy
rubbery earthy plastic
Odor Description:at 100.00 %. rubbery earthy plastic
Flavor Type: hay
hay fruity
Taste Description: straw fruity
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
R C Treatt & Co Ltd
Safety Information:
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
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: flavoring agents
Recommendation for lactadione usage levels up to:
 not for fragrance use.
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: 25
 average usual ppmaverage maximum ppm
baked goods: 5.0000020.00000
beverages(nonalcoholic): 1.000003.00000
beverages(alcoholic): 5.0000020.00000
breakfast cereal: 2.0000010.00000
cheese: 5.0000020.00000
chewing gum: 10.0000020.00000
condiments / relishes: --
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: 5.0000030.00000
fish products: --
frozen dairy: 1.000005.00000
fruit ices: 1.000003.00000
gelatins / puddings: 1.000003.00000
granulated sugar: --
gravies: --
hard candy: 1.000005.00000
imitation dairy: 5.0000030.00000
instant coffee / tea: 1.000003.00000
jams / jellies: 1.000003.00000
meat products: 2.000005.00000
milk products: 5.0000030.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 100.000002000.00000
snack foods: 5.0000020.00000
soft candy: 1.000005.00000
soups: 1.0000010.00000
sugar substitutes: --
sweet sauces: 1.0000010.00000
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12003251
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12003251
Pubchem (sid):36495562
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):Search
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
For Odor
amyl cinnamyl isovalerate
For Flavor
thienyl disulfide
amyl cinnamyl isovalerate
Potential Uses:
None Found
Occurrence (nature, food, other):note
 tea green tea
PbMd Search Trop Picture
(±)-3-hydroxy-3-methyl nonane-2,4-dione
(±)-3-hydroxy-3-methyl-2,4-nonane dione
2,4-nonadione, 3-hydroxy-3-methyl-
None found
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