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3-oxooctanoic acid glyceride
3-oxooctanoate; propane-1,2,3-triol

Supplier Sponsors

Name:2,3-dihydroxypropyl 3-oxooctanoate
CAS Number: 91052-68-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:293-230-8
FDA UNII:743960W5WQ
CoE Number:10654
Molecular Weight:232.27640000
Formula:C11 H20 O5
NMR Predictor:Predict (works with chrome or firefox)
Name:3-oxooctanoate; propane-1,2,3-triol
CAS Number: 128331-48-6Picture of molecule3D/inchi
Formula:C11 H21 O6 -
NMR Predictor:Predict (works with chrome or firefox)
Category:emulsifiers, 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
JECFA Food Flavoring:911 3-oxooctanoic acid glyceride
FLAVIS Number:09.556 (Old)
DG SANTE Food Flavourings:09.556 3-oxooctanoic acid glyceride
FEMA Number:3771 3-oxooctanoic acid glyceride
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-OXOOCTANOIC ACID GLYCERIDE
 
Physical Properties:
Appearance:white to pale yellow solid fatty flakes (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 49.00 to 52.00 °C. @ 760.00 mm Hg
Boiling Point: 372.00 to 374.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Flash Point: 286.00 °F. TCC ( 141.11 °C. )
logP (o/w): 0.554 (est)
Soluble in:
 alcohol, slightly
 oils
 water, 5.824e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:low
Odor Description:at 100.00 %. mild fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
3-oxooctanoic acid glyceride
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: emulsifiers, flavoring agents
Recommendation for 3-oxooctanoic acid glyceride usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 29.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.00 (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
 average usual ppmaverage maximum ppm
baked goods: -10.00000
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: -50.00000
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: --
 
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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
2,3-dihydroxypropyl 3-oxooctanoate
Chemidplus:0091052685
3-oxooctanoate; propane-1,2,3-triol
Chemidplus:0128331486
 
References:
 2,3-dihydroxypropyl 3-oxooctanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (sid):3786918
 3-oxooctanoate; propane-1,2,3-triol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):25080121
Pubchem (sid):135285011
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB39845
FooDB:FDB019500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
(E)-
cinnamyl butyrate
FL/FR
coconut
(R)-gamma-
nonalactone
FL/FR
fatty
(S)-gamma-
decalactone
FL/FR
floral
methyl jasmonate
FL/FR
(Z,E)-
phytol
FL/FR
iso
phytol
FL/FR
fruity
ethyl methyl anthranilate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
waxy
phytyl acetate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
(E)-
cinnamyl butyrate
FL/FR
(S)-gamma-
decalactone
FL/FR
ethyl methyl anthranilate
FL/FR
(R)-gamma-
nonalactone
FL/FR
phytyl acetate
FL/FR
balsamic
balsamic
(Z,E)-
phytol
FL/FR
floral
methyl jasmonate
FL/FR
oily
iso
phytol
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,3-dihydroxypropyl 3-oxooctanoate
 glycerol 3-oxooctanoate
3-oxooctanoate; propane-1,2,3-triol
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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