CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless to pale yellow oil |
|---|---|
| Odor | Odor of fennel |
| Taste | Taste of fennel |
| Solubility | Slightly sol in water; sol in 1 vol 90% or in 8 volumes 80% alcohol; very sol in chloroform, ether |
| Density | 0.953-0.973 @ 25 deg/25 °C |
| Stability/Shelf Life | VOLATILE |
| Optical Rotation | Specific optical rotation: +11 to +24 deg at 20 °C |
| Decomposition | When heated to decomposition it emits acrid smoke & irritating fumes. |
| Refractive Index | CHARACTERISTIC ANISE ODOR; SPECIFIC GRAVITY: 0.959-0.981 @ 20 °C; INDEX OF REFRACTION 1.5330-1.5530 @ 20 °C; MUTAROTATION: +3 DEG TO +16 DEG @ 20 °C; CONGEALING POINT: +5 TO +15 °C (DEPENDING ON ANETHOLE CONTENT) /SWEET-ESSENTIAL FENNEL OIL/ |
| Other Experimental Properties | Mutarotation: +12 deg to +24 deg @ 25 °C (in 100 mm tube) |
| Chemical Classes | UVCB |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 448.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.29774513 g/mol |
| Monoisotopic Mass | 448.29774513 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |