CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Watery colorless liquid with a pleasant, fruity odor. Floats on water. Produces irritating vapor. (USCG, 1999) |
|---|---|
| Color/Form | Colorless liquid |
| Odor | HAS FRUITY ODOR CHARACTERISTIC OF ACETATE ESTERS |
| Boiling Point | 234 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -100 °F (USCG, 1999) |
| Flash Point | 62 °F (USCG, 1999) |
| Solubility | 0.8 % (NIOSH, 2023) |
| Density | 0.872 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 4.0 (Air = 1) |
| Vapor Pressure | 51.7 mmHg (USCG, 1999) |
| LogP | log Kow = 1.72 |
| Stability/Shelf Life | Heat /contributes to instability/. |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| Surface Tension | 23.3 dynes/cm = 0.0233 N/m at 21 °C |
| Ionization Potential | 9.91 eV |
| Odor Threshold | Odor Threshold Low: 3.0 [mmHg] Odor Threshold High: 7.0 [mmHg] Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards" |
| Refractive Index | Index of refraction: 1.3888 at 20 °C |
| Relative Evaporation Rate | 2.0 (Butyl acetate = 1) |
| Kovats Retention Index | 738.1 746 749 737 746 740 738 746 745.9 745 744 758 |
| Other Experimental Properties | Conversion factors (wt/vol): 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  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.16 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| 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 | 78.6 |
| 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
Watery colorless liquid with a pleasant, fruity odor. Floats on water. Produces irritating vapor. (USCG, 1999)