106-70-7
Product Name:
Methyl hexanoate
Formula:
C7H14O2
Synonyms:
Caproic acid methyl ester;Hexanoic acid methyl ester;Methyl caproate;Methyl caproate, Caproic acid methyl ester, Hexanoic acid methyl ester;Methyl hexanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyl caproate is a clear colorless liquid. (NTP, 1992) |
|---|---|
| Boiling Point | 302 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -96 °F (NTP, 1992) |
| Flash Point | 163 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.8846 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 1 mmHg at 41 °F ; 5 mmHg at 86 °F; 100 mmHg at 196.5 °F (NTP, 1992) |
| Refractive Index | 1.402-1.409 |
| Kovats Retention Index | 903 904 905 904 904 904 905 905 907 908.5 907.4 908 908 906 909 907 910 907 907 907 908.3 915 906 909 910 911 909 910 905 908 913 904 905 907 902 913 902 902 913 906 902 904.7 906 911 906 906 907 908.7 902 914 905 910 906 906 906 907 907 906 910 914 905 906 906 906 907 905 907 906 921 906 916 914.6 905.5 |
| 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.18 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 130.099379685 g/mol |
| Monoisotopic Mass | 130.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 79 |
| 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
Methyl caproate is a clear colorless liquid. (NTP, 1992)