Tributyl citrate - CAS 77-94-1
Catalog: |
BB036085 |
Product Name: |
Tributyl citrate |
CAS: |
77-94-1 |
Synonyms: |
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester; 2-Hydroxy-1,2,3-propanetricarboxylic Acid 1,2,3-Tributyl Ester; Citric Acid Tributyl Ester; Butyl citrate; Citroflex 4; Citroflex C 4; Citrofol B 1; Morflex TBC; NSC 8491; Tri-n-Butyl Citrate |
IUPAC Name: | tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
Description: | Tributyl citrate is a non-phthalate plasticizer which can be used to prepare resins. |
Molecular Weight: | 360.44 |
Molecular Formula: | C18H32O7 |
Canonical SMILES: | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O |
InChI: | InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3 |
InChI Key: | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
Boiling Point: | 389.8±9.0°C at 760 mmHg |
Melting Point: | -20 °C |
Flash Point: | 206 °C |
Purity: | ≥98% |
Density: | 1.041 g/cm3 |
Solubility: | Miscible with Acetone, Ethanol, Vegetable Oil; Practically insoluble in Water |
Appearance: | Clear liquid |
Storage: | Store at RT |
MDL: | MFCD00027217 |
LogP: | 2.52760 |
Refractive Index: | 1.44 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H318 (86.14%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-11014898-B1 | Benzothiazepine compounds and their use as bile acid modulators | 20201204 |
US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 20200909 |
US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 20200909 |
US-10874687-B1 | Highly active compounds against COVID-19 | 20200227 |
US-2021186702-A1 | Resorbable implants for reconstruction of bone defects | 20191220 |
PMID | Publication Date | Title | Journal |
22450665 | 20120101 | [Survey of plasticizers in polyvinyl chloride toys] | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan |
21801834 | 20111101 | Development of sustained-release lipophilic calcium stearate pellets via hot melt extrusion | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
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 |
19426182 | 20090401 | Guided tissue regeneration with bioabsorbable barriers III 10-year results in infrabony defects | Journal of clinical periodontology |
21394249 | 20080901 | Key formulation variables in tableting of coated pellets | Indian journal of pharmaceutical sciences |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.21480336 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.21480336 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 99.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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