CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Di-isononyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999) |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 172 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -48 °C |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Solubility | Insoluble (<1 mg/ml at 70 °F) (NTP, 1992) |
| Density | 0.972 g/cu m at 20 °C/20 °C |
| Vapor Pressure | 0.00000054 [mmHg] |
| LogP | 8.8 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 380 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Viscosity | 500 cST at 0 °C; 102 cST at 20 °C; 37 cSt at 37.8 °C; 6 cSt at 100 °C |
| Refractive Index | Index of refraction: 1.486 at 20 °C/D |
| Collision Cross Section | 220.6 Ų [M+H]+ 313.44 Ų [2M+Na]+ 220.94 Ų [M+Na]+ |
| Kovats Retention Index | 2649 2649 2649 |
| Other Experimental Properties | ... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/ |
| Chemical Classes | Plastics & Rubber -> Phthalate Esters |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H361:Reproductive toxicity H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 418.6 g/mol |
|---|---|
| XLogP3 | 9.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Exact Mass | 418.30830982 g/mol |
| Monoisotopic Mass | 418.30830982 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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
Di-isononyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999)