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4128-31-8

4128-31-8 structural image
Product Name: 2-Octanol
Formula: C8H18O
Synonyms: 2-Octanol;Capryl alcohol;Ethyl-N-amylcarbinol;Ethylpentylcarbinol;Hexyl methyl carbinol, 2-Capryl alcohol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Color/Form Liquid
Odor Characteristically disagreeable, but aromatic
Boiling Point 179 °C
Melting Point -31.6 °C
Flash Point 76 °C
Solubility In water, 1120 mg/L at 25 C
Density 0.8193 g/cu cm at 20 °C
Vapor Density 4.5 (Air = 1)
Vapor Pressure 0.24 [mmHg]
LogP log Kow = 2.90
Henry's Law Constant Henry's Law constant = 3.2276X10-5 atm-cu m/mol at 25 °C
Stability/Shelf Life Chemical stability: Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors.
Heat of Vaporization 44.4 kJ/mol at 179.3 °C
Odor Threshold Odor Threshold Low: 0.009 [mmHg]
Refractive Index Miscible with water; soluble in alcohol, ether, acetone; index of refraction: 1.4264 at 20 deg dC/D /d-Form/
Kovats Retention Index 985 990 977 976.7 1009 1011 1012 1014 990 982 983 990 992 984.9 984 987 984 988 982 983 988 994
Other Experimental Properties Oily, refractive liquid; solubility: 0.096 mL/100 mL water; aromatic, yet somewhat unpleasant odor, particularly on heating; density 0.8193 at 20 °C/4 °C; bp: 178.5 °C at 760 mm Hg; index of refraction: 1.42025 at 20 °C/D /DL-form/
Chemical Classes Solvents -> Alcohols (<C12)

COMPUTED DESCRIPTORS

Molecular Weight 130.23 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 130.135765193 g/mol
Monoisotopic Mass 130.135765193 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 52.5
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

Octan-2-ol is an octanol carrying the hydroxy group at position 2. It has a role as a volatile oil component and a plant metabolite. It is an octanol and a secondary alcohol.