CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Aldrich MSDS] |
|---|---|
| Boiling Point | 133.00 to 135.00 °C. @ 760.00 mm Hg |
| Solubility | 16.1 mg/mL at 25 °C |
| Density | 0.818-0.822 (20°) |
| Vapor Pressure | 4.81 [mmHg] |
| LogP | 1.65 |
| Refractive Index | 1.414-1.418 |
| Kovats Retention Index | 780.2 774.8 778.5 784 784 782.6 783.8 783 785 781 783 785 780 785 785 785 780 782.4 762 780 776.4 769 790 776 776 776 784 784 815 791 788 |
| Chemical Classes | Solvents -> Alcohols (<C12) |
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. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 102.17 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 102.104465066 g/mol |
| Monoisotopic Mass | 102.104465066 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 35.2 |
| 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
Hexan-3-ol is a hexanol in which the hydroxy group is at position 3. It has a role as a plant metabolite. It is a secondary alcohol and a hexanol.