81-14-1
Product Name:
Musk ketone
Formula:
C14H18N2O5
Synonyms:
4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone;Ketone Moschus;Musk ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | Yellow crystals |
| Odor | Sweet, very persistent, slightly animal musk odor |
| Melting Point | 274.1 to 277.7 °F (NTP, 1992) |
| Flash Point | >168 °C (>334 °F) - closed cup |
| Solubility | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992) |
| Density | Relative density: 0.73 g/cu cm |
| Vapor Pressure | 3.00X10-7 mm Hg at 25 °C |
| LogP | log Kow = 4.30 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/. |
| Kovats Retention Index | 1922.2 1925 1942.8 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H312:Acute toxicity,dermal H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H351:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P281:Use personal protective equipment as required. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 294.30 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 294.12157168 g/mol |
| Monoisotopic Mass | 294.12157168 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 418 |
| 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
Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992)