503-74-2
Product Name:
Isovaleric acid
Formula:
C5H10O2
Synonyms:
3-Methylbutanoic acid;3-Methylbutyric acid;Isopentanoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | DISAGREEABLE, RANCID-CHEESE ODOR |
| Taste | ACID TASTE |
| Boiling Point | 176.5 °C |
| Melting Point | -29.3 °C |
| Flash Point | 70 °C |
| Solubility | 40700 mg/L (at 20 °C) |
| Density | 0.931 @ 20 °C/4 °C |
| Vapor Pressure | 0.44 [mmHg] |
| LogP | 1.16 |
| Henry's Law Constant | Henry's Law constant = 8.33X10-7 atm cu-m/mol @ 25 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Heat of Vaporization | 12,951.1 GCAL/GMOL |
| Odor Threshold | Odor Threshold Low: 0.0015 [mmHg] Odor Threshold High: 0.72 [mmHg] Odor threshold from CHEMINFO |
| Refractive Index | Index of refraction = 1.4033 at 20 °C/D |
| Dissociation Constants | 4.77 (at 20 °C) |
| Kovats Retention Index | 851 816 826 825 827 875 812 808 807 807 806 856 855 900 842 812 840 819 867 842 840 851 851 830 830 830 |
| Other Experimental Properties | FORMS HYDRATE WITH 30 PARTS WATER |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. 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 | 102.13 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068079557 g/mol |
| Monoisotopic Mass | 102.068079557 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.5 |
| 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
Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue.