6846-50-0
Product Name:
2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
Formula:
C16H30O4
Synonyms:
1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Low color |
| Boiling Point | 380 °C |
| Melting Point | Freezing point: -70 °C |
| Flash Point | 250 °F (121 °C) (Open cup) |
| Density | 0.94 at 25 °C/4 °C |
| Vapor Density | 9.9 (Air = 1) |
| Vapor Pressure | 8.5x10(-3) mmHg |
| Autoignition Temperature | 795 °F (424 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 1591 |
| Other Experimental Properties | Conversion factors: 1 ppm = approximately 11.68 mg/cu m; 1 mg/L = approximately 85.7 ppm at 25 °C |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 286.41 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 286.21440943 g/mol |
| Monoisotopic Mass | 286.21440943 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 329 |
| 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-pentadienol diisobutyrate is a diester.