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| IUPAC Name: | methyl oct-2-ynoate |
| Description: | Methyl 2-octynoate (CAS# 111-12-6) is used as reagents in cosmetic industry to create multianalyte method on micro matrix-solid-phase dispersion for analysis of fragrance allergens and preservatives in personal care products. |
| Molecular Weight: | 154.21 |
| Molecular Formula: | C9H14O2 |
| Canonical SMILES: | CCCCCC#CC(=O)OC |
| InChI: | InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3 |
| InChI Key: | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
| Boiling Point: | 217.00 °C (EPI 4.0) |
| Flash Point: | 192 °F |
| Purity: | 98.0 % |
| Density: | 0.92 g/cm3 |
| Solubility: | Almost insoluble in water. |
| Appearance: | Colorless to pale yellow liquid |
| Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
| MDL: | MFCD00009530 |
| LogP: | 1.74310 |
| Refractive Index: | 1.446 : 1.449 at 20 deg C |
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