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472-66-2

472-66-2 structural image
Product Name: 2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE
Formula: C11H18O
Synonyms: β-Homocyclocitral
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description A clear, colourless to pale yellow liquid; herbaceous aroma.
Boiling Point 58.00 to 59.00 °C. @ 760.40 mm Hg
Solubility Insoluble in water, soluble in fat
Density 0.873-0.885 (20°)
Refractive Index 1.480-1.487
Kovats Retention Index 1236 1237.3 1235

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 166.26 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 166.135765193 g/mol
Monoisotopic Mass 166.135765193 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 211
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

2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde is an aldehyde.