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932-66-1

932-66-1 structural image
Product Name: 1-ACETYL-1-CYCLOHEXENE
Formula: C8H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index 931
Chemical Classes Other Classes -> Aliphatic Ketones, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H302:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 124.18 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 124.088815002 g/mol
Monoisotopic Mass 124.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 145
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

1-Acetyl-1-cyclohexene is a natural product found in Panax ginseng with data available.