CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Codeine appears as colorless to white crystalline solid or white powder. Sublimes at 284 °F. Odorless. Bitter taste. pH (saturated aqueous solution) 9.8. (NTP, 1992) |
|---|---|
| Color/Form | Orthorhombic crystals from water, dilute alcohol, ether |
| Boiling Point | 482 °F at 22 mmHg (sublimes) (NTP, 1992) |
| Melting Point | 309 to 313 °F (after drying at 176 °F) (NTP, 1992) |
| Flash Point | 167 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.32 at 68 °F (NTP, 1992) - Denser than water; will sink |
| LogP | 1.39 |
| LogS | -1.52 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Codeine monohydrate/ |
| Optical Rotation | Orthorhombic sphenoidal rods or tablets (octahedra) from water or dilute alcohol; MP, 154-156 °C (after drying at 80 °C); sublimes (when anhyd) at 140-145 °C under at 1.5 mm Hg. Melts to oily drops when heated in amount of water insufficient for complete solution, crystallizes on cooling. Specific gravity: 1.32 at 20 °C/4 °C. Specific optical rotation: -136 deg at 15 °C/D (c = 3 in alcohol); -112 deg at 15 °C/D (c = 2 in chloroform). pK at 15 °C, 6.05; pH of saturated aqueous solution 9.8. One gram dissolves in 120 mL water, 60 mL water at 80 °C, 2 mL alcohol, 1,2 mL hot alcohol, 13 mL benzene, 18 mL ether, 0.5 mL chloroform; freely soluble in amyl alcohol, methanol, dilute acids. Almost insoluble in petroleum ether or in solutions of alkali hydroxides. /Codeine monohydrate/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Heat of Combustion | 2327.6 kg cal/g mole at 20 °C, 760 mm Hg (solid) |
| Dissociation Constants | 8.2 |
| Collision Cross Section | 168.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | Effloresces slowly in dry air, affected by light. Levorotatory in acid and alcohol solutions. |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 299.4 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.15214353 g/mol |
| Monoisotopic Mass | 299.15214353 g/mol |
| Topological Polar Surface Area | 41.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 509 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Codeine appears as colorless to white crystalline solid or white powder. Sublimes at 284 °F. Odorless. Bitter taste. pH (saturated aqueous solution) 9.8. (NTP, 1992)