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| IUPAC Name: | 3-methylbenzaldehyde |
| Description: | m-Tolualdehyde (CAS# 620-23-5) is an aromatic aldehyde used as a fragrance agent in food and cosmetics. 3-Methylbenzaldehyde is also used as a reagent in the preparation of a wide range of pharmaceutical compounds such as anti-inflammatory agents. |
| Molecular Weight: | 120.15 |
| Molecular Formula: | C8H8O |
| Canonical SMILES: | CC1=CC=CC(=C1)C=O |
| InChI: | InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3 |
| InChI Key: | OVWYEQOVUDKZNU-UHFFFAOYSA-N |
| Boiling Point: | 199 °C |
| Melting Point: | < 25 °C |
| Flash Point: | 78°C |
| Purity: | 97 % |
| Density: | 1.019 g/cm3 |
| Appearance: | Clear yellow to brown liquid |
| Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00003374 |
| LogP: | 1.80750 |
| Refractive Index: | 1.54-1.542 |
| Stability: | Stable under normal temperatures and pressures. |
| Vapor Pressure: | 0.379 mm Hg at 25 °C (est) |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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