| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 102-76-1 |
| ECHA EC Number: | 203-051-9 |
| FDA UNII: | XHX3C3X673 |
| Category: | flavoring agents and adjuvants, formulation aids, humectants, solvents and vehicles |
| IUPAC Name: | triacetin |
| InChI : | InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
| Std.InChI: | InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
| InChIKey : | URAYPUMNDPQOKB-UHFFFAOYAH |
| Std.InChIKey: | URAYPUMNDPQOKB-UHFFFAOYSA-N |
| SMILES : | CC(=O)OCC(COC(=O)C)OC(=O)C |
| MDL: | MFCD00008716 |
| Molar Refractivity : | 49.02 ± 0.3 cm3 (est) |
| Parachor : | 461.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.434 ± 0.02 (est) |
| Surface Tension : | 36.4 ± 3.0 dyne/cm (est) |
| Density : | 1.161 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.43 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.15900 to 1.16400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.644 to 9.686 |
| Refractive Index: | 1.42900 to 1.43200 @ 20.00 °C. |
| Melting Point: | 3.00 to 4.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 258.00 to 260.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 130.00 to 131.00 °C. @ 7.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| PH Number: | 7.00 |
| Vapor Pressure: | 0.014000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 7.52 ( Air = 1 ) |
| Flash Point: | 280.00 °F. TCC ( 137.78 °C. ) |
| logP (o/w): | 0.250 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 2.152e+004 mg/L @ 25 °C (est) | |
| water, 5.80E+04 mg/L @ 25 °C (exp) | |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 100 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| intravenous-rabbit LD50 750 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978. oral-mouse LD50 1100 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: STIFFNESS Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963. intravenous-mouse LD50 1600 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957. intraperitoneal-mouse LD50 1400 mg/kg BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: STIFFNESSPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963. intravenous-dog LD50 1500 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978. oral-frog LDLo 150 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978. intramuscular-guinea pig LDLo 1740 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942. intraperitoneal-rat LD50 2100 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978. oral-rat LD50 3000 mg/kg AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. | |
| Dermal Toxicity: | |
| subcutaneous-mouse LD50 2300 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: DYSPNEA Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941. subcutaneous-rat LD50 2800 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: DYSPNEA Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents and adjuvants, formulation aids, humectants, solvents and vehicles | |||
| Recommendation for triacetin 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1000.00000 | |
| beverages(nonalcoholic): | - | 190.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 4100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 60.00000 | 2000.00000 | |
| fruit ices: | 60.00000 | 2000.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 560.00000 | |
| imitation dairy: | - | - | |
| 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: | - | - | |
| EPI System: View |
| ClinicalTrials.gov:search |
| Daily Med:search |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):102-76-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5541 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 1,3-diacetyloxypropan-2-yl acetate |
| Chemidplus:0000102761 |
| RTECS:102-76-1 |
| 1,3-diacetyloxypropan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 102-76-1 |
| Pubchem (cid): | 5541 |
| Pubchem (sid): | 134971620 |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | D00384 |
| HMDB (The Human Metabolome Database): | HMDB29592 |
| FooDB: | FDB000751 |
| Export Tariff Code: | 2915.39.9000 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical; cp; nd; fcc•food-grade triacetin must be at least 98.5% c9h14o6, and it must not contain >5 mgkg heavy metals (as pb) or>0.2% water.?6?1usp-grade triacetin must contain not less than 97.0% and not greater than 100.5% c9h14o6, calculated on the anhydrous basis•trade names: enzaactin; estoll 1581; fungacetin; glyped; kessocoflex tra; kadoflex triacetin; only-clear nail; priacetin 1581; ujostabil; and vanay.•enzactin (ayerst). topical: aerosol 15% in 3 oz containers; cream 250 mgg in 1 oz containers; powder 33.3% in 1 12 oz containers.•fungoid tincture (pedinol): solution: triacetin, cetylpyridinium chloride, chloroxylenol, benzyl alcohol, acetone, benzalkonium chloride (in 30 ml and pint). fungoid (pedinol) solution: triacetin, peg-8, cetylpyridinium chloride, chloroxylenol and benzalkonium chloride (in 15 ml). fungoid cream (pedinol) cream: triacetin, cetylpyridinium chloride, chloroxylenol, mineral oil, lanolin, propylene glycol, parabens in a vanishing cream base (in 30 g). | |
| coupler for oil and water emulsions | |
| film formers | |
| solvents |
| acetic acid 1,2,3-propane triyl ester | |
| 2- | acetyloxy-1-(acetyloxymethyl)ethyl acetate |
| 2-( | acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate |
| captex 500 | |
| 1,3- | diacetyloxypropan-2-yl acetate |
| enzactin | |
| fungacetin | |
| glycerin triacetate | |
| glycerol triacetate | |
| glyceryl triacetate | |
| 1,2,3- | propane triol triacetate |
| 1,2,3- | propane triyl triacetate |
| propane-1,2,3-triyl triacetate | |
| 1,2,3- | propanetriol triacetate |
| 1,2,3- | propanetriol, triacetate |
| 1,2,3- | propanetriyl triacetate |
| ( | tri-)acetin |
| triacetin EP grade | |
| triacetin FCC | |
| triacetin food grade | |
| triacetin regular grade | |
| triacetin synthetic | |
| triacetin USP | |
| triacetine | |
| 1,2,3- | triacetoxypropane |
| triacetyl glycerine | |
| triacetyl glycerol | |
| triacetylglycerol | |
| vanay |
