CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with a strong, oily-nutty, herbaceous odour |
|---|---|
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Melting Point | -45.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in alcohol, ether; insoluble in water |
| Density | 0.817-0.824 |
| Refractive Index | 1.425-1.429 |
| Kovats Retention Index | 985 981 997 981 977 982 985 979 995 978 986 990 985 985 985.4 990 1013 980 982 974 995 995 986 980 995 974 981 981 978 981 977 986 982 989 987 961 988 994 974 985 982 986 974 984 988 974 979 980 986 971 982 983 995 993 995 984 986 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.23 g/mol |
|---|---|
| XLogP3 | 2.8 |
| 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-3-ol is a secondary alcohol that is octane substituted by a hydroxy group at position 3. It has a role as a human metabolite and a plant metabolite. It is an octanol and a secondary alcohol.