CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 122.00 to 124.00 °C. @ 760.00 mm Hg |
| Melting Point | -75.9 °C |
| Solubility | 5.3 mg/mL at 25 °C |
| Density | 0.873-0.879 |
| Refractive Index | 1.391-1.396 |
| Kovats Retention Index | 792.4 792.6 778.99 796 796 785 795 807 794 792 792 778 789 789 797 792 787 802 789 798.4 785 792.1 789 793 784.1 785 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H332:Acute toxicity,inhalation |
| 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. P242:Use only non-sparking tools. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.16 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| 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 | 68.9 |
| 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
Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a human metabolite, a rat metabolite, a biomarker and a fungal metabolite. It is functionally related to a propan-1-ol.