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5337-72-4

5337-72-4 structural image
Product Name: 2,6-DIMETHYLCYCLOHEXANOL
Formula: C8H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1110 1111 1112 1098 1114 1114 1114 1110

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 128.21 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 128.120115130 g/mol
Monoisotopic Mass 128.120115130 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 80.6
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,6-Dimethylcyclohexanol is a natural product found in Ceratophyllum demersum with data available.