4128-31-8
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 |
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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.