CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid with a peppermint odor; [Hawley] |
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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 |
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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 |
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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.