CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor. |
|---|---|
| Color/Form | Colorless needles or white powder |
| Odor | Relatively odorless |
| Taste | Relatively tasteless |
| Boiling Point | 442 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Melting Point | 274.1 °F (NTP, 1992) |
| Flash Point | 260 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 1.204 at 66 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 3.87 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | less than 0.01 mmHg at 68 °F ; 9.8 mmHg at 266 °F (NTP, 1992) |
| LogP | log Kow = 1.33 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | -3107 kJ/mol |
| Surface Tension | 53.5 mN/m at 20 °C (mean surface tension of an aqueous solution of 1 g/L) |
| Ionization Efficiency | Negative |
| Dissociation Constants | 4.5 |
| Kovats Retention Index | 1056 |
| Other Experimental Properties | Sorbic acid begins to sublime above 60 °C. |
| Chemical Classes | Other Classes -> Organic Acids |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.13 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 112.052429494 g/mol |
| Monoisotopic Mass | 112.052429494 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 123 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor.