Articles:
| None found yet. Try the PubMed Search. |
3-oxooctanoate; propane-1,2,3-triol
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 91052-68-5 |  3D/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) | |
| CAS Number: | 128331-48-6 |  3D/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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 911 3-oxooctanoic acid glyceride |
| 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 (SATF): | 128331-48-6 ; 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 CSA |
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 | |||
| Click here to view publication 15 | |||
| average usual ppm | average 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| 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 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): | HMDB39845 |
| FooDB: | FDB019500 |
| FDA Listing of Food Additive Status: | View |
| 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 | ||
| (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-oxo | octanoate; propane-1,2,3-triol |