CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a peppermint odor; [Hawley] |
|---|---|
| Boiling Point | 178.5-179.5 @ 760 MM HG |
| Solubility | INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL |
| Density | 0.9508 @ 20 °C/4 °C |
| Stability/Shelf Life | VOLATILE. |
| Refractive Index | INDEX OF REFRACTION: 1.4608 @ 20 °C; MAX ABSORPTION (ALCOHOL): 285 NM (LOG E= 1.30) |
| Kovats Retention Index | 979 985 992 1008 981 989 999 987 989.4 1010 |
| Other Experimental Properties | DIPOLE MOMENT: 2.98 |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.17 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.088815002 g/mol |
| Monoisotopic Mass | 112.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 76.4 |
| 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
Cycloheptanone is a natural product found in Gossypium hirsutum with data available.