| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 91052-73-2 |
| ECHA EC Number: | 293-236-0 |
| FDA UNII: | 1WMN7PVK2J |
| CoE Number: | 10655 |
| Category: | emulsifiers, flavoring agents |
| IUPAC Name: | 3-oxotetradecanoic acid glyceride |
| InChI : | InChI=1/C17H32O5/c1-2-3-4-5-6-7-8-9-10-11-15(19)12-17(21)22-14-16(20)13-18/h16,18,20H,2-14H2,1H3 |
| Std.InChI: | InChI=1S/C17H32O5/c1-2-3-4-5-6-7-8-9-10-11-15(19)12-17(21)22-14-16(20)13-18/h16,18,20H,2-14H2,1H3 |
| InChIKey : | CLJFAQLOWURDGR-UHFFFAOYAQ |
| Std.InChIKey: | CLJFAQLOWURDGR-UHFFFAOYSA-N |
| SMILES : | OCC(O)COC(=O)CC(=O)CCCCCCCCCCC |
| Molar Refractivity : | 85.64 ± 0.3 cm3 (est) |
| Parachor : | 769.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.473 ± 0.02 (est) |
| Surface Tension : | 40.3 ± 3.0 dyne/cm (est) |
| Density : | 1.036 ± 0.06 g/cm3 (est) |
| Polarizability : | 33.95 ± 0.5 10-24cm3 (est) |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
| FDA/DG SANTE Petitions, Reviews, Notices: | |
| 1975 | Glycerin and Glycerides View - review |
| JECFA Food Flavoring: | 916 3-oxotetradecanoic acid glyceride |
| DG SANTE Food Flavourings: | 09.557 3-oxotetradecanoic acid glyceride |
| FEMA Number: | 3772 3-oxotetradecanoic acid glyceride |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 128331-49-7 ; 3-OXOTETRADECANOIC ACID GLYCERIDE |
| Appearance: | white to pale yellow solid flakes (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 73.00 to 75.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 451.00 to 453.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Flash Point: | 309.00 °F. TCC ( 153.89 °C. ) |
| logP (o/w): | 3.611 (est) |
| Soluble in: | |
| alcohol | |
| water, 58.94 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Parchem |
| 3-oxotetradecanoic acid glyceride |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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 | |
| Category: | |||
| emulsifiers, flavoring agents | |||
| Recommendation for 3-oxotetradecanoic acid glyceride usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (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. Update in publication number(s): 16 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 150.00000 | |
| 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: | - | - | |
| 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :25080122 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-oxotetradecanoate;propane-1,2,3-triol |
| Chemidplus:0091052732 |
| 3-oxotetradecanoate; propane-1,2,3-triol |
| Chemidplus:0128331497 |
| 3-oxotetradecanoate;propane-1,2,3-triol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 25080122 |
| Pubchem (sid): | 135342698 |
| 3-oxotetradecanoate; propane-1,2,3-triol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 25080122 |
| Pubchem (sid): | 3812189 |
| (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): | HMDB39848 |
| FooDB: | FDB019503 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| 2,3- | dihydroxypropyl 3-oxotetradecanoate |
| glycerides palm-oil mono- and di- hydrogenated 3-oxotetradecanoates | |
| glycerol 3-oxotetradecanoate | |
| 3-oxo | tetradecanoate; propane-1,2,3-triol |
| None found yet. Try the PubMed Search. |
