Tributyl O-acetylcitrate - CAS 77-90-7
Catalog: |
BB036074 |
Product Name: |
Tributyl O-acetylcitrate |
CAS: |
77-90-7 |
Synonyms: |
Acetyltributyl Citrate; Tributyl Acetylcitrate; Acetylbutyl citrate; acetylcitric acid, tributyl ester; ATBC; Citroflex A-4; tributyl citrate acetate; 1,2,3-Propanetricarboxylic acid, 2-acetyloxy, tributyl ester; 2-(Acetyloxy)-1,2,3-propanetricarboxylic Acid 1,2,3-Tributyl Ester; Citric Acid Tributyl Ester Acetate; Acetyl Butyl Citrate; Citroflex 4A-S; Citroflex A; NSC 3894; Tributyl 2-(Acetyloxy)-1,2,3-propanetricarboxylic Acid |
IUPAC Name: | tributyl 2-acetyloxypropane-1,2,3-tricarboxylate |
Description: | Tributyl O-acetylcitrate is a topical pharmaceutical formulation anesthetic surfactant ester used to plasticize polymers in formulations of pharmaceutical coatings, including capsules, tablets, beads, and granules for taste masking, immediate release, sustained-release and enteric formulations. |
Molecular Weight: | 402.48 |
Molecular Formula: | C20H34O8 |
Canonical SMILES: | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C |
InChI: | 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 |
InChI Key: | QZCLKYGREBVARF-UHFFFAOYSA-N |
Boiling Point: | 418.1±40.0°C at 760 mmHg |
Melting Point: | -59 °C |
Flash Point: | >230 °F |
Purity: | ≥97% |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Clear Colorless Oily Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating vapors |
MDL: | MFCD00043554 |
LogP: | 3.09840 |
Refractive Index: | 1.4430 |
Stability: | Stable. |
Vapor Pressure: | 0.26 psi ( 20 °C) |
Precautionary Statement: | P273: Avoid release to the environment. P501: Dispose of contents/container in accordance with local/regional/national/international regulations. |
Publication Number | Title | Priority Date |
CN-113461987-A | High-strength hydrophobic copper crosslinked carboxymethyl chitosan/carboxylic styrene-butadiene rubber composite material and preparation method thereof | 20210727 |
CN-113321882-A | Plasticizing system for PVDC product | 20210722 |
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CN-113512250-A | Photovoltaic cable | 20210715 |
CN-113308101-A | Extinction degradable daily chemical bottle and preparation method thereof | 20210714 |
PMID | Publication Date | Title | Journal |
28235592 | 20170415 | Steroid profiling in H295R cells to identify chemicals potentially disrupting the production of adrenal steroids | Toxicology |
22180062 | 20121101 | Serum ghrelin is inversely associated with risk of subsequent oesophageal squamous cell carcinoma | Gut |
23039368 | 20121025 | Side-chain-dependent helical conformation of amylose alkylcarbamates: amylose tris(ethylcarbamate) and amylose tris(n-hexylcarbamate) | The journal of physical chemistry. B |
22990651 | 20121023 | Influence of vitamin D binding protein on the association between circulating vitamin D and risk of bladder cancer | British journal of cancer |
22967558 | 20120915 | Optimization of focused ultrasonic extraction of propellant components determined by gas chromatography/mass spectrometry | Talanta |
Complexity: | 476 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 402.22536804 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 402.22536804 |
Rotatable Bond Count: | 19 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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