CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate is a colorless liquid with a mild characteristic odor. Floats on water. (USCG, 1999) |
|---|---|
| Boiling Point | 471 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -50 °C |
| Flash Point | 248 °F (USCG, 1999) |
| Solubility | Solubility in water, g/100ml: 2 |
| Density | 0.95 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 7.5 |
| Vapor Pressure | 0.0097 [mmHg] |
| LogP | 3.47 |
| Autoignition Temperature | 393 °C |
| Odor Threshold | Odor Threshold Low: 0.06 [mmHg] Odor threshold is 50% odor detection |
| Kovats Retention Index | 1365.2 |
| Chemical Classes | Other Classes -> Other Organic Compounds |
COMPUTED DESCRIPTORS
| Molecular Weight | 216.32 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 216.17254462 g/mol |
| Monoisotopic Mass | 216.17254462 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 207 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,2,4-trimethyl-1,3-pentanediol monoisobutyrate is a colorless liquid with a mild characteristic odor. Floats on water. (USCG, 1999)