141-04-8
Product Name:
Diisobutyl adipate
Formula:
C14H26O4
Synonyms:
Adipic acid bis(2-methylpropyl) ester;Adipic acid diisobutyl ester;Hexanedioic acid 1,6-bis(2-methylpropyl) ester;NSC 6343
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Odorless |
| Boiling Point | 278-280 °C |
| Melting Point | -20 °C |
| Solubility | Sol in most org solvents; insol in water |
| Density | 0.9534 g/cu cm @ 19 °C |
| Vapor Pressure | 0.00563 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction: 1.4301 @ 20 °C |
| Collision Cross Section | 167.82 Ų [M+H]+ 294.67 Ų [2M+Na]+ 235.89 Ų [2M+Na]+ 180.16 Ų [M+Na]+ 218.46 Ų [M+Na]+ |
| Kovats Retention Index | 1660 1655 1656 1656 1657 1652 1666.5 1660 |
| Other Experimental Properties | Wt/gal 7.95 lb |
| Chemical Classes | Plastics & Rubber -> Other Plasticizers |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H320:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. |
COMPUTED DESCRIPTORS
| Molecular Weight | 258.35 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 258.18310931 g/mol |
| Monoisotopic Mass | 258.18310931 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 220 |
| 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
Diisobutyl adipate is a fatty acid ester.