471-25-0
Product Name:
Propiolic Acid
Formula:
C3H2O2
Synonyms:
Acetylenecarboxylic acid;Propynoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; mp = 9 deg C; [Merck Index] Solid or liquid with an odor like acetic acid; mp = 18 deg C; [HSDB] Clear dark yellow liquid; mp = 16-18 deg C; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Crystals from carbon disulfde |
| Odor | Odor resembling acetic acid |
| Boiling Point | 144 °C (decomposes) |
| Melting Point | 18 °C |
| Flash Point | 58 °C (136 °F) - closed cup |
| Solubility | Very soluble in water, ether, ethanol, chloroform |
| Density | 1.1380 g/cu cm at 20 °C |
| Vapor Pressure | 3.5 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and irrirating fumes. |
| Refractive Index | Index of refraction: 1.4306 at 20 °C/D |
| Kovats Retention Index | 660 |
| Other Experimental Properties | When heated to decompostion it emits acrid smoke and irritating fumes |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H301:Acute toxicity,oral H310:Acute toxicity,dermal H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 70.05 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 70.005479302 g/mol |
| Monoisotopic Mass | 70.005479302 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 84.3 |
| 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
Propynoic acid is a terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond. It has a role as a xenobiotic metabolite. It is an acetylenic fatty acid, a monounsaturated fatty acid, a short-chain fatty acid, a terminal acetylenic compound and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a propynoate.