Triethyl 2-acetylcitrate - CAS 77-89-4
Catalog: |
BB036065 |
Product Name: |
Triethyl 2-acetylcitrate |
CAS: |
77-89-4 |
Synonyms: |
Acetyltriethyl Citrate; ATEC; Acetyl Triethyl Citrate; NSC 3887; Triethyl 2-Acetoxy-1,2,3-propanetricarboxylate; Triethyl Acetylcitrate; Triethyl Citrate Acetate; 1,2,3-Propanetricarboxylic acid, 2-acetyloxy, triethyl ester; Citroflex A-2 |
IUPAC Name: | triethyl 2-acetyloxypropane-1,2,3-tricarboxylate |
Description: | Triethyl 2-acetylcitrate is used to plasticize polymers in formulated pharmaceutical coatings. |
Molecular Weight: | 318.32 |
Molecular Formula: | C14H22O8 |
Canonical SMILES: | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C |
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 |
InChI Key: | WEAPVABOECTMGR-UHFFFAOYSA-N |
Boiling Point: | 327.2±37.0°C at 760 mmHg |
Melting Point: | -42°C |
Flash Point: | 188 °C |
Purity: | ≥97% |
Density: | 1.14 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Colorless Thick Oily Matter |
Storage: | Store at RT |
LogP: | 0.75780 |
Refractive Index: | 1.44 |
GHS Hazard Statement: | H317 (95.63%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23039368 | 20121025 | Side-chain-dependent helical conformation of amylose alkylcarbamates: amylose tris(ethylcarbamate) and amylose tris(n-hexylcarbamate) | The journal of physical chemistry. B |
21986331 | 20111030 | Vascular effects of paclitaxel following drug-eluting balloon angioplasty in a porcine coronary model: the importance of excipients | EuroIntervention : journal of EuroPCR in collaboration with the Working Group on Interventional Cardiology of the European Society of Cardiology |
21742782 | 20111001 | Acetyl tributyl citrate, the most widely used phthalate substitute plasticizer, induces cytochrome p450 3a through steroid and xenobiotic receptor | Toxicological sciences : an official journal of the Society of Toxicology |
20800682 | 20101101 | The use of dynamic mechanical analysis (DMA) to evaluate plasticization of acrylic polymer films under simulated gastrointestinal conditions | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
20107587 | 20090101 | The severity of autism is associated with toxic metal body burden and red blood cell glutathione levels | Journal of toxicology |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.13146766 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.13146766 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 105 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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