CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isoeugenol is a pale yellow oily liquid with a spice-clove odor. Freezes at 14 °F. Density 1.08 g / cm3. Occurs in ylang-ylang oil and other essential oils. |
|---|---|
| Color/Form | Oily liquid; easily becomes somewhat yellow |
| Odor | Spice-clove odor |
| Boiling Point | 511 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 14 °F (NTP, 1992) |
| Flash Point | 235 °F (NTP, 1992) |
| Solubility | Slightly soluble (NTP, 1992) |
| Density | 1.08 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.02 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = 3.04 |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Viscosity | 7.476 centipoise at 20 °C |
| Heat of Vaporization | 14681.396 cal/g mole at normal boiling point |
| Surface Tension | 30.813 dynes/cm |
| Refractive Index | Index of refraction = 1.5739 at 19 °C |
| Dissociation Constants | pKa = 9.88 at 25 °C |
| Kovats Retention Index | 1429 1436.4 1420 1409 1411 1418.9 |
| Other Experimental Properties | log Kow = 2.11 (measured, pH not specified) |
| Chemical Classes | Other Uses -> Food Additives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 164.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.083729621 g/mol |
| Monoisotopic Mass | 164.083729621 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 154 |
| 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
Isoeugenol is a pale yellow oily liquid with a spice-clove odor. Freezes at 14 °F. Density 1.08 g / cm3. Occurs in ylang-ylang oil and other essential oils.