77-90-7
Product Name:
Acetyl tributyl citrate
Formula:
C20H34O8
Synonyms:
2-(Acetyloxy)-1,2,3-Propanetricarboxylic acid tributyl ester;Acetyl tributyl citrate;Tributyl 2-acetylcitrate;Tributylacetyl citrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Other Solid; Pellets or Large Crystals |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Very faint sweet, herbaceous odor |
| Taste | At high levels (e.g., 1000 ppm emulsion in water) it has a mild, fruity, non-descript flavor. |
| Boiling Point | 331 °C at 732 mm Hg |
| Melting Point | -80 °C |
| Flash Point | 204 °C |
| Solubility | In water, 5 mg/L, temp not specified |
| Density | 1.046 at 25 °C |
| Vapor Density | 14.1 (Air = 1; 20 °C) |
| Vapor Pressure | 0.00000455 [mmHg] |
| LogP | log Kow = 4.92 |
| Henry's Law Constant | Henry's Law constant = 3.8X10-10 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Viscosity | 42.7 cPs at 25 °C |
| Odor Threshold | Odor perception threshold is 50 mg/L. |
| Refractive Index | Index of refraction= 1.4408 at 25 °C |
| Collision Cross Section | 199.82 Ų [M+H]+ 205.77 Ų [M+Na]+ 291.52 Ų [2M+Na]+ |
| Kovats Retention Index | 2253 2224 2253 2253 2224 |
| Other Experimental Properties | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 402.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 19 |
| Exact Mass | 402.22536804 g/mol |
| Monoisotopic Mass | 402.22536804 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 476 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acetyl tributyl citrate is an organooxygen compound. It is functionally related to a tetracarboxylic acid.