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| IUPAC Name: | (E)-hept-2-enal |
| Description: | trans-2-Heptenal (CAS# 18829-55-5) is found in the scent-gland secretion of Oebalus pugnax (rice stink bug). trans-2-Heptenal is also an odour active compound found in guava. |
| Molecular Weight: | 112.17 |
| Molecular Formula: | C7H12O |
| Canonical SMILES: | CCCCC=CC=O |
| InChI: | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| InChI Key: | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| Boiling Point: | 166.00 °C (EPI 4.0) |
| Purity: | 97.0 % (sum of isomers) |
| Density: | 0.857 g/cm3 |
| Solubility: | Insoluble in water; soluble in alcohol. |
| Appearance: | Colorless to pale yellow liquid |
| Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
| MDL: | MFCD00007010 |
| LogP: | 1.93170 |
| Refractive Index: | 1.444 : 1.452 at 20 deg C |
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