CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a pleasant odor; [Hawley] |
|---|---|
| Color/Form | Colorless liquid |
| Odor | FATTY, GREEN CHEESE AROMA |
| Taste | Camphor taste |
| Boiling Point | 173.5 |
| Melting Point | -16 °C |
| Flash Point | 125 °F (52 °C) (Closed cup) |
| Solubility | Miscible with alcohol, ether |
| Density | 0.820 at 20 °C/4 °C |
| Vapor Density | 4.4 (Air = 1) |
| Vapor Pressure | 1.35 [mmHg] |
| LogP | log Kow = 2.37 |
| Henry's Law Constant | Henry's Law constant = 1.99X10-4 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Low in volatility |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | -1207.01 at 25 °C (liquid), standard state |
| Heat of Vaporization | 12.4/dyne cm at 25 °C |
| Odor Threshold | Odor Threshold Low: 248.0 [mmHg] Odor threshold from HSDB |
| Refractive Index | Index of refraction: 1.41512 at 20 degC/D |
| Kovats Retention Index | 964 974 966 969 974 975 975 958 967 966 968 971 971 976 972 973 968.8 971 974.2 969 978 980 976 978 978 979 978 977 978 969 970 970 959 962 947 969 969 970 972 973 965 972 963 968 969.6 972 973 968 947 969 971.4 974 979 967 966 965 974 974 991 969 991 968 969 975.7 967 969 970 964 991 972 972 970 |
| Other Experimental Properties | Acid value: 0.9 max; forms azeotropes with d-limonene (57%), phenol (32%), phenethyl alcohol (5%), o-cresol (12%); forms azeotropes with ethylene glycol (76%), cineol (55%) |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H312:Acute toxicity,dermal |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.21 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.120115130 g/mol |
| Monoisotopic Mass | 128.120115130 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 76.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2. It has a role as a metabolite.