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589-82-2

589-82-2 structural image
Product Name: 3-HEPTANOL
Formula: C7H16O
Synonyms: Butyl ethyl carbinol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Alfa Aesar MSDS]
Solubility insoluble in water; soluble in alcohol
Density 0.815-0.821
Vapor Pressure 0.74 [mmHg]
Refractive Index 1.42
Kovats Retention Index 884 877.9 883.8 882 882 885 885 886 886 886 886 881 883.4 877 877 876
Chemical Classes Solvents -> Alcohols (<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.

COMPUTED DESCRIPTORS

Molecular Weight 116.20 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 116.120115130 g/mol
Monoisotopic Mass 116.120115130 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 43.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Heptan-3-ol is a secondary alcohol.