3-oxohexanoic acid glyceride
palm oil glycerides mono- and di- hydrogenated 3-oxohexanoates
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 91052-72-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 293-235-5
FDA UNII: 955W13CULA
CoE Number: 10653
Molecular Weight: 316.35068000
Formula: C15 H24 O7
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate (EFFA, 2010a). According to JECFA: Min. Assay value is "95 by ester determination".
Category: emulsifiers, flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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 FDA/DG SANTE Petitions, Reviews, Notices:
1975 Glycerin and Glycerides View - review
JECFA Food Flavoring: 910  3-oxohexanoic acid diglyceride
DG SANTE Food Flavourings: 09.555  3-oxohexanoic acid glyceride
FEMA Number: 3770 3-oxohexanoic acid diglyceride
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977148-06-3 ; 3-OXOHEXANOIC ACID DIGLYCERIDE
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Physical Properties:
Appearance: white to pale yellow solid fatty flakes (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 41.00 to  44.00 °C. @ 760.00 mm Hg
Boiling Point: 349.00 to  352.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Flash Point: 280.00 °F. TCC ( 137.78 °C. )
logP (o/w): -1.408 (est)
Soluble in:
 alcohol
 oils
 water, slightly
 water, 5.654e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: low
 
Odor Description:
at 100.00 %. 
mild fatty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-oxohexanoic acid glyceride
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: emulsifiers, flavoring agents
Recommendation for 3-oxohexanoic acid glyceride usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 270.00 (μg/capita/day)
Structure Class: III
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: 15
Click here to view publication 15
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: -25.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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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):
Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 2,3-dihydroxypropyl 3-oxohexanoate
Chemidplus: 0091052721
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References:
 2,3-dihydroxypropyl 3-oxohexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (sid): 135342456
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
FooDB: FDB010004
FDA Listing of Food Additive Status: View
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2,3-dihydroxypropyl 3-oxohexanoate
 glycerides palm oil mono- and di- hydrogenated 3-oxohexanoates
3-oxohexanoic acid diglyceride
 palm oil glycerides mono- and di- hydrogenated 3-oxohexanoates
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