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502-42-1

502-42-1 structural image
Product Name: Cycloheptanone
Formula: C7H12O
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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.

RELATED SUPPLIERS

JSK Chemicals

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product:502-42-1 Cycloheptanone, 99% 99%
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