CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [IUCLID] Light yellow crystalline lumps; [MSDSonline] |
|---|---|
| Boiling Point | 226 °C |
| Melting Point | 58 °C |
| Flash Point | 100 °C |
| Solubility | Very soluble in ethanol, ether, benzene. |
| Vapor Pressure | 0.03 [mmHg] |
| LogP | log Kow = 2.67 |
| Kovats Retention Index | 1201 1198 1203 1201 |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.19 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.088815002 g/mol |
| Monoisotopic Mass | 136.088815002 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 111 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
2,3,6-Trimethylphenol is a hydroxytoluene.