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| IUPAC Name: | methyl octanoate |
| Description: | Methyl octanoate (CAS# 111-11-5) is a volatile organic compound found in many food substances. |
| Molecular Weight: | 158.24 |
| Molecular Formula: | C9H18O2 |
| Canonical SMILES: | CCCCCCCC(=O)OC |
| InChI: | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChI Key: | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Boiling Point: | 194-195 ℃ |
| Melting Point: | -30°C |
| Flash Point: | 73°C |
| Purity: | > 99.5 % (GC) |
| Density: | 0.878 g/cm3 |
| Appearance: | A colorless liquid. flash point 130°f. insoluble in water and about the same density as water. used to make other chemicals. |
| Storage: | -20°C |
| Decomposition: | Yields irritating vapors that can cause coughing. When heated to decomposition it emits acrid smoke and irritating flumes |
| MDL: | MFCD00009551 |
| LogP: | 2.51990 |
| Refractive Index: | 1.4165-1.4185 |
| Stability: | Stable under normal temperatures and pressures. |
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