| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 77-89-4 |
| ECHA EC Number: | 201-066-5 |
| FDA UNII: | 5WBR36T90E |
| Category: | food contact resinous and polymeric coatings |
| IUPAC Name: | acetyl triethyl citrate |
| InChI : | InChI=1/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3 |
| Std.InChI: | InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3 |
| InChIKey : | WEAPVABOECTMGR-UHFFFAOYAA |
| Std.InChIKey: | WEAPVABOECTMGR-UHFFFAOYSA-N |
| SMILES : | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C |
| MDL: | MFCD00049378 |
| Molar Refractivity : | 73.97 ± 0.3 cm3 (est) |
| Parachor : | 683.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.453 ± 0.02 (est) |
| Surface Tension : | 38.8 ± 3.0 dyne/cm (est) |
| Density : | 1.163 ± 0.06 g/cm3 (est) |
| Polarizability : | 29.32 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.13500 to 1.13900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.444 to 9.478 |
| Refractive Index: | 1.43700 to 1.44000 @ 25.00 °C. |
| Boiling Point: | 132.00 °C. @ 1.00 mm Hg |
| Boiling Point: | 326.00 to 327.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000200 mmHg @ 25.00 °C. (est) |
| Flash Point: | 298.00 °F. TCC ( 147.78 °C. ) |
| logP (o/w): | 2.170 (est) |
| 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. |
| moisture Sensitive. | |
| Soluble in: | |
| water, 0.72 gm/100 ml water | |
| cellulose acetate | |
| cellulose acetate butyrate | |
| cellulose nitrate | |
| chlorinated rubber | |
| ethyl cellulose | |
| polyvinyl acetate | |
| polyvinyl butyral | |
| polyvinyl chloride | |
| polyvinyl chloride acetate | |
| polyvinyl vinylidene chloride | |
| water, 688.2 mg/L @ 25 °C (est) | |
| Similar Items:note | |
| acetyl tributyl citrate | |
| BOC Sciences |
| For experimental / research use only. |
| Triethyl 2-acetylcitrate |
| Charkit Chemical |
| ACETYLTRIETHYL CITRATE CITROFLEX A2 |
| Indis NV |
| For experimental / research use only. |
| Acetyl Triethyl Citrate |
| Jungbunzlauer Suisse |
| CITROFOL® AII Odor: bland Use: Citric acid esters have been available more than 40 years used in various applications. Initially, they found utility as plasticiser in polymers such as polyvinyl chloride (PVC) and cellulose derivates. In the meantime, their usefulness has grown into multiple applications with a growing demand as the trend for more environmentally friendly materials continues.Citrates offer an excellent alternative for those products under scrutiny. They demonstrate equal plasticiser performance to replace phthalates and adipates in many applications such as cosmetics, pharmaceutical coatings, food contact films and in plastic articles. Due to their high boiling point plasticiser are hardly volatile, thus the losses from the polymers are insignificant. Their solvent power ensures compatibility with the resin. One of these plasticisers is CITROFOL® AII. |
| Penta International |
| ACETYL TRIETHYL CITRATE USP NF |
| Penta International |
| ACETYL TRIETHYL CITRATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Triethyl 2-acetylcitrate |
| Sigma-Aldrich |
| For experimental / research use only. |
| Triethyl 2-acetylcitrate pharmaceutical secondary standard; traceable to USP |
| TCI AMERICA |
| For experimental / research use only. |
| Triethyl O-Acetylcitrate >97.0%(GC) |
| 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 7000 mg/kg International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. intraperitoneal-mouse LD50 1150 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)VASCULAR: OTHER CHANGES Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964. oral-cat LDLo 8510 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENTLUNGS, THORAX, OR RESPIRATION: DYSPNEA Toxicology and Applied Pharmacology. Vol. 1, Pg. 283, 1959. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| food contact resinous and polymeric coatings | |||
| Recommendation for acetyl triethyl citrate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for acetyl triethyl citrate flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):77-89-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6504 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| triethyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| Chemidplus:0000077894 |
| RTECS:GE8225000 for cas# 77-89-4 |
| triethyl 2-acetyloxypropane-1,2,3-tricarboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 77-89-4 |
| Pubchem (cid): | 6504 |
| Pubchem (sid): | 134972803 |
| (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 Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2918.99.5000 |
| ChemSpider: | View |
| None Found |
| deluents | |
| film formers | |
| plasticizer for plastics that come in contact with food or skin |
| not found in nature |
| O- | acetylcitric acid triethyl ester |
| 2-( | acetyloxy)-1,2,3-propanetricarboxylic acid triethyl ester |
| 2-( | acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester |
| acetyltriethyl citrate | |
| citric acid acetyl triethyl ester | |
| citric acid, O-acetyl-, triethyl ester | |
| citric acid, triethyl ester, acetate | |
| citroflex A 2 | |
| citroflex A-2 | |
| citrofol aII - acetyltriethyl citrate | |
| 1,2,3- | propanetricarboxylic acid, 2- (acetyloxy)-, triethyl ester |
| 1,2,3- | propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester |
| tricarballylic acid beta-acetoxytributyl ester | |
| triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate | |
| triethyl 2-acetoxy-1,2,3-propane tricarboxylate | |
| triethyl 2-acetoxy-1,2,3-propanetricarboxylate | |
| triethyl 2-acetoxypropane-1,2,3-tricarboxylate | |
| triethyl 2-acetylcitrate | |
| triethyl 2-acetyloxypropane-1,2,3-tricarboxylate | |
| 1,2,3- | triethyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| triethyl acetyl citrate | |
| triethyl acetylcitrate | |
| triethyl O-acetyl citrate | |
| triethyl O-acetylcitrate | |
| triethyl ortho-acetyl citrate | |
| triethylacetylcitrate | |
| uniplex 82 |
