93-08-3
Product Name:
2-Acetonaphthone
Formula:
C12H10O
Synonyms:
2′-Acetonaphthone;2-Acetonaphthone;2-Acetylnaphthalene;Methyl 2-naphthyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder, Liquid, Other Solid; Liquid; Pellets or Large Crystals |
|---|---|
| Boiling Point | 300.00 to 301.00 °C. @ 760.00 mm Hg |
| Melting Point | 56 °C |
| Solubility | 0.272 mg/mL at 25 °C |
| Kovats Retention Index | 1598.4 1569.9 |
| Chemical Classes | Other Classes -> Naphthalenes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.21 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.073164938 g/mol |
| Monoisotopic Mass | 170.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197 |
| 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-Acetonaphthone is a well-known fragrance, and consequently selective 2-acetylation of naphthalene is of commercial interest. In naphthalene the 1-position is electronically favored for electrophilic substitution, but due to steric hindrance by the 8-carbon-hydrogen bond, the 2-position is sterically favored.