CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Insoluble in water (8.8 mg/L at 25 deg C); [ChemIDplus] Colorless odorless liquid; [HSDB] |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Odor | ODORLESS |
| Taste | TASTELESS |
| Boiling Point | 345 °C |
| Melting Point | BELOW -35 °C |
| Flash Point | 390 °F (199 °C) (Open cup) |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| Density | 1.097 |
| Vapor Density | 11.6 (Air = 1) |
| Vapor Pressure | 0.00000707 [mmHg] |
| Stability/Shelf Life | Extremely light stable. |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 2268.7 |
| Other Experimental Properties | Conversion factor: 13.73 mg/cu m= 1 ppm |
| Chemical Classes | Plastics & Rubber -> Phthalate Esters |
COMPUTED DESCRIPTORS
| Molecular Weight | 336.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Exact Mass | 336.15728848 g/mol |
| Monoisotopic Mass | 336.15728848 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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
Butyl phthalyl butylglycolate is a benzoate ester.