123-66-0
Product Name:
Ethyl Hexanoate
Formula:
C8H16O2
Synonyms:
Caproic acid ethyl ester;Ethyl caproate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 166.00 to 168.00 °C. @ 760.00 mm Hg |
| Melting Point | -67.5 °C |
| Solubility | 0.629 mg/mL at 25 °C |
| Density | 0.867-0.871 |
| Vapor Pressure | 1.56 [mmHg] |
| Refractive Index | 1.406-1.409 |
| Kovats Retention Index | 976 980 981 979 981 981 985 979 980 980 1011 982 993 979 982.9 982 982 983 986 990 991 994 986 986 986 992 985 988 1000 979 989 981 982 976 982 991 991 976 976 980 980 986 975 975 975 977 976 976 999 975 975 981 984 981 981 980.5 983 1000 983 988 985 987 974 980 990 983 983 980 982 984 981 980 984 980 979 996 983 986 988 981 981 983 983 981 981 991 982 990 986.5 973 |
| Chemical Classes | Solvents -> Esters (<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. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.21 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 144.115029749 g/mol |
| Monoisotopic Mass | 144.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 89.3 |
| 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
Ethyl hexanoate is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester.