CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow-tan solid; [HSDB] Slightly yellow powder; [MSDSonline] |
|---|---|
| Color/Form | YELLOW-TAN CRYSTALS |
| Melting Point | 149-153 °C |
| Solubility | VERY SLIGHTLY SOL IN WATER; SOL IN ALC & PROPYLENE GLYCOL |
| Other Experimental Properties | 6.0 LB/GAL @ 20 °C |
| Chemical Classes | Other Classes -> Aromatic Ketones |
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 |
P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 196.20 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 196.07355886 g/mol |
| Monoisotopic Mass | 196.07355886 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 204 |
| 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
1-(2,4,5-Trihydroxyphenyl)-1-butanone is an aromatic ketone.