122-62-3
Product Name:
Bis(2-ethylhexyl) sebacate
Formula:
C26H50O4
Synonyms:
‘Dioctyl’ sebacate;Bis(2-ethylhexyl) sebacate;Di(2-ethylhexyl) sebacate;Dioctyl sebacate;Sebacic acid di(2-ethylhexyl) ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Bis(2-ethylhexyl) sebacate is a clear pale yellow liquid with a mild odor. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | Pale straw-colored liquid |
| Odor | MILD ODOR |
| Boiling Point | 478 °F at 4 mmHg (NTP, 1992) |
| Melting Point | -54 °F (NTP, 1992) |
| Flash Point | 410 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Density | 0.912 at 77 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | 14.7 (Air= 1) |
| Vapor Pressure | 0.0000001 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid and irritating fumes. |
| Refractive Index | Index of refraction: 1.451 @ 25 °C/D |
| Kovats Retention Index | 2792 2792 |
| Other Experimental Properties | CAN REACT WITH OXIDIZING MATERIALS |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 426.7 g/mol |
|---|---|
| XLogP3 | 9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 23 |
| Exact Mass | 426.37091007 g/mol |
| Monoisotopic Mass | 426.37091007 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bis(2-ethylhexyl) sebacate is a clear pale yellow liquid with a mild odor. Insoluble in water. (NTP, 1992)