68515-43-5
Product Name:
1,2-Benzenedicarboxylic acid, di-C9-11-branched and linear alkyl esters
Formula:
C28H46O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Di-n-octyl phthalate appears as a clear liquid with a mild odor. Slightly less dense than water and insoluble in water. Hence floats on water. Flash point 430 °F. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. As a liquid, can easily penetrate the soil and contaminate groundwater and nearby streams. Eye contact may produce severe irritation and direct skin contact may produce mild irritation. Used in the manufacture of a variety of plastics and coating products. |
|---|---|
| Color/Form | Clear, oily liquid |
| Boiling Point | 428 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -13 °F (NTP, 1992) |
| Flash Point | 219 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 0.98 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Pressure | less than 0.2 mmHg at 302 °F (NTP, 1992) |
| LogP | log Kow = 8.10 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 735 °F (390 °C) |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| Viscosity | 39 mPa.s at 20 °C |
| Refractive Index | Index of refraction = 1.485 at 20 °C/D |
| Kovats Retention Index | 2682 2685 2687 2686 2696.3 2680 |
| Other Experimental Properties | Volatility of di-n-octyl phthalate from polyvinyl chloride resin for 24 hr at 87 °C over activated charcoal was 2.2%. |
| Chemical Classes | Plastics & Rubber -> Phthalate Esters |
COMPUTED DESCRIPTORS
| Molecular Weight | 390.6 g/mol |
|---|---|
| XLogP3 | 9.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Exact Mass | 390.27700969 g/mol |
| Monoisotopic Mass | 390.27700969 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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-n-octylphthalate is a colorless, odorless, oily liquid that doesn't evaporate easily. It is a man-made substance used to keep plastics soft or more flexible. This type of plastic can be used for medical tubing and blood storage bags, wire and cables, carpetback coating, floor tile, and adhesives. It is also used in cosmetics and pesticides.