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) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
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.