Acetyl tributyl citrate CAS 77-90-7
Introduction：Basic information about Acetyl tributyl citrate CAS 77-90-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Acetyl tributyl citrate Basic information
| Product Name: | Acetyl tributyl citrate |
| Synonyms: | tributyl2-(acetyloxy)-1,2,3-propanetricarboxylicacid;tributylcitrateacetate;Uniplex 84;butyl acetylcitrate;TRIBUTYL ACETYLCITRATE 98+%;CITROFLEX A4 FOR GAS CHROMATOGRAPHY &;FEMA 3080;ATBC |
| CAS: | 77-90-7 |
| MF: | C20H34O8 |
| MW: | 402.48 |
| EINECS: | 201-067-0 |
| Product Categories: | Organic Building Blocks;Building Blocks;C12 to C63;Carbonyl Compounds;Chemical Synthesis;Esters;Aliphatics;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Pharmaceuticals;Functional Materials;Hydroxycarboxylic Acid Esters (Plasticizer);Plasticizer;Amino ester;Industrial/Fine Chemicals;77-90-7 |
| Mol File: | 77-90-7.mol |
Acetyl tributyl citrate Chemical Properties
| Melting point | -59 °C |
| Boiling point | 327 °C |
| density | 1.05 g/mL at 25 °C (lit.) |
| Pour Point | -43 |
| vapor pressure | 0.26 psi ( 20 °C) |
| refractive index | n |
| FEMA | 3080 | TRIBUTYL ACETYLCITRATE |
| Fp | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | Not miscible with water, miscible with ethanol (96 per cent) and with methylene chloride. |
| form | Liquid |
| color | Clear Colourless |
| Odor | at 100.00 %. very faint herbal wine sweet |
| Odor Type | herbal |
| biological source | synthetic |
| Water Solubility | <0.1 g/100 mL |
| FreezingPoint | -80℃ |
| JECFA Number | 630 |
| BRN | 2303316 |
| Cosmetics Ingredients Functions | FRAGRANCE PERFUMING PLASTICISER |
| Cosmetic Ingredient Review (CIR) | Acetyl tributyl citrate (77-90-7) |
| InChI | 1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 |
| InChIKey | QZCLKYGREBVARF-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC |
| LogP | 5.227 (est) |
| CAS DataBase Reference | 77-90-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester(77-90-7) |
| EPA Substance Registry System | Acetyl tributyl citrate (77-90-7) |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | TZ8330000 |
| TSCA | TSCA listed |
| HS Code | 29181500 |
| Storage Class | 10 - Combustible liquids |
| Hazardous Substances Data | 77-90-7(Hazardous Substances Data) |
| Chemical Properties | clear colorless liquid |
| Chemical Properties | Acetyltributyl citrate is a clear, odorless, practically colorless, oilyliquid. |
| Chemical Properties | Tributyl acetylcitrate has a very faint, sweet, herbaceous odor. At high levels (e.g., 1000 ppm emulsion in water), it hasa mild, fruity, nondescript flavor. |
| Chemical Properties | Acetyl tributyl citrate (ATBC) is a colorless, odorless liquid. Its water solubility is less than 0.002 g/100 mL, but it is soluble in organic solvents. |
| Uses | These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements. |
| Uses | Labelled Tributyl O-Acetylcitrate (T772950). Topical pharmaceutical formulation anesthetic surfactant ester. |
| Uses | plasticizer flavoring agent |
| Definition | Aqueous-based pharmaceutical coat-ings. |
| Preparation | From citric acid via the tributyl ester followed by acetylation. |
| Production Methods | Acetyltributyl citrate is prepared by the esterification of citric acidwith butanol followed by acylation with acetic anhydride. |
| Taste threshold values | An emulsion of the title material in water at 1000 ppm has only a very faint, mildly fruity-winey, berry-like odor and a mild, nondescript taste. |
| General Description | Tributyl 2-acetylcitrate is a hydrophobic biodegradable plasticizer, that is usually synthesized by esterification of citric acid. Pharmaceutically, it is used as an excipient, which is generally applied as a thin film over the tablets or capsules. Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. |
| Pharmaceutical Applications | Acetyltributyl citrate is used to plasticize polymers in formulatedpharmaceutical coatings, including capsules, tablets, beads, andgranules for taste masking, immediate release, sustained-releaseand enteric formulations. |
| Safety Profile | When heated to decomposition it emits acrid smoke and irritating fumes. ADD750 |
| Safety | and films intended for direct food contact. It is also used in selfadhesivethin films used for topical delivery systems. It is generallyregarded as a relatively nontoxic and nonirritating material.However, ingestion of large quantities may be harmful. LD50 (cat, oral): >50 mL/kg LD50 (mouse, IP): >4 g/kg LD50 (rat, oral): >31.5 g/kg |
| Carcinogenicity | The chronic toxicity of ATBCwas evaluated in rats fed diets containing 200, 2000, or20,000 ppm of ATBC for 2 years. There were no treatment-related lesions in any organs examined. |
| Solubility in organics | Miscible with alcohol and oils. |
| storage | Acetyltributyl citrate should be stored in a well-closed container in acool, dry location at temperatures not exceeding 38℃. When storedin accordance with these conditions, acetyltributyl citrate is a stableproduct. |
| Incompatibilities | Acetyltributyl citrate is incompatible with strong alkalis andoxidizing materials. |
| Regulatory Status | Included in FDA Inactive Ingredients Database (oral capsules andtablets). Included in nonparenteral medicines licensed in the UK.Approved in the USA for direct food contact in food films. |
Acetyl tributyl citrate Preparation Products And Raw materials
| Raw materials | 1-Butanol-->Citric acid |
