79-31-2
Product Name:
Isobutyric acid
Formula:
C4H8O2
Synonyms:
2-Methylpropionic acid;Isobutanoic acid;Isobutyric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Corrosive to metals and tissue. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Pungent odor like that of butyric acid, but not as unpleasant |
| Taste | CHEESY TASTE |
| Boiling Point | 309 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -51 °F (USCG, 1999) |
| Flash Point | 132 °F (NFPA, 2010) |
| Solubility | 167000 mg/L (at 20 °C) |
| Density | 0.949 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.0 |
| Vapor Pressure | 1.81 [mmHg] |
| LogP | 0.94 |
| LogS | 0.28 |
| Henry's Law Constant | Henry's Law constant = 8.85X10-7 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable during transport. |
| Autoignition Temperature | 935 °F (USCG, 1999) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Viscosity | 1.126 mPa.s |
| Corrosivity | /2-Methylpropanoic acid/ is corrosive to metals. |
| Heat of Vaporization | 11,182.8 g cal/g mole |
| Surface Tension | 24.4mN/m at 25 °C /Methyl propanoate/ |
| Odor Threshold | Odor Threshold Low: 8.0 [mmHg] [Merck Index] Odor threshold from CHEMINFO |
| Refractive Index | Index of refraction: 1.3930 at 20 °C/D |
| Dissociation Constants | 4.84 (at 20 °C) |
| Kovats Retention Index | 752 732 723 731 731 780 756 723 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 2.00X10-12 cu cm/molec-sec at 25 °C |
| 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 H302:Acute toxicity,oral H311: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. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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 | 88.11 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 88.052429494 g/mol |
| Monoisotopic Mass | 88.052429494 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 56.6 |
| 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
Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Corrosive to metals and tissue.