10396-80-2
Product Name:
2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
Formula:
C15H24O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1478 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 236.35 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.177630004 g/mol |
| Monoisotopic Mass | 236.177630004 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 364 |
| 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
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one is a natural product found in Nicotiana tabacum with data available.