CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Citral appears as a clear yellow colored liquid with a lemon-like odor. Less dense than water and insoluble in water. Toxic by ingestion. Used to make other chemicals. |
|---|---|
| Color/Form | Mobile pale yellow liquid |
| Odor | Strong lemon odor |
| Taste | Taste threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta-citral, 30 to 460 ppb. |
| Boiling Point | 444 °F at 760 mmHg (Decomposes) (NTP, 1992) |
| Melting Point | Melting point <-10 °C. |
| Flash Point | 215 °F (NTP, 1992) |
| Solubility | 0.1 to 1 mg/mL at 64 °F (NTP, 1992) |
| Density | 0.891 to 0.897 at 59 °F (NTP, 1992) |
| Vapor Density | Relative vapor density (air = 1): 5.3 |
| Vapor Pressure | 5 mmHg at 194 °F ; 1 mmHg at 143.1 °F; 760 mmHg at 442 °F (NTP, 1992) |
| LogP | 3.450 |
| Stability/Shelf Life | NOT STABLE TO ALKALIES AND STRONG ACIDS |
| Autoignition Temperature | 225 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| pH | ACID VALUE: 5.0 MAX |
| Odor Threshold | Aroma threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta citral, 30 to 460 ppb. |
| Refractive Index | Index of refraction = 1.4860-1.4900 at 20 °C, not optically active |
| Kovats Retention Index | 1249 1250 1240 1239 1244 1268 1275 1244 1241 1241 1268 1246 1262 1249 1260 1223 1224.5 1249 1252 1252 |
| Other Experimental Properties | VAPOR PRESSURE: 5 MM HG @ 91-95 °C /GERANIAL/ |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.23 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 152.120115130 g/mol |
| Monoisotopic Mass | 152.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 171 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Citral appears as a clear yellow colored liquid with a lemon-like odor. Less dense than water and insoluble in water. Toxic by ingestion. Used to make other chemicals.