540-88-5
Product Name:
tert-Butyl acetate
Formula:
C6H12O2
Synonyms:
Acetic acid tert-butyl ester;TBAc;tert-Butyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Tert-butyl acetate is a colorless liquid with a mild odor. Floats on water. Produces irritating vapor. (USCG, 1999) |
|---|---|
| Color/Form | Liquid |
| Odor | Fruity odor |
| Boiling Point | 208 °F at 760 mmHg (USCG, 1999) |
| Flash Point | 72 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.8665 at 68 °F 0.8593 at 25 °C (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 4.0 at BP (Air = 1) |
| Vapor Pressure | 47.0 [mmHg] |
| LogP | log Kow = 1.76 |
| Stability/Shelf Life | Heat /contributes to instability/. |
| Autoignition Temperature | 799 °F (425 °C) /Butyl acetate/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Vaporization | 33.07 kJ/mol at bp; 39.03 kJ/mol at 25 °C |
| Odor Threshold | Odor Threshold Low: 4.0 [mmHg] Odor Threshold High: 47.0 [mmHg] Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards" |
| Refractive Index | Index of refraction: 1.3855 at 20 °C |
| Kovats Retention Index | 701.4 687 686 701 686 676 690.7 687 684.2 676 687 |
| Other Experimental Properties | CONVERSION FACTORS: 4.74 MG/CU M IS EQUIVALENT TO 1 PPM |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.16 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.083729621 g/mol |
| Monoisotopic Mass | 116.083729621 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 89.2 |
| 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
Tert-butyl acetate is a colorless liquid with a mild odor. Floats on water. Produces irritating vapor. (USCG, 1999)