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trans-2-Hexenal

Catalog Number ACM6728263
CAS 6728-26-3
Structure {[CurrentData.Name]}
IUPAC Name (E)-Hex-2-enal
Synonyms Trans-3-propyalacrolein
Molecular Weight 98.14
Molecular Formula C6H10O
Canonical SMILES CCCC=CC=O
InChI InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChI Key MBDOYVRWFFCFHM-SNAWJCMRSA-N
Boiling Point 47 °C/17 mmHg(lit.)
Melting Point -78 °C
Flash Point 101 °F
Purity 98%
Density 0.846 g/mL at 25 °C(lit.)
Solubility Insoluble in water
Appearance Clear colorless to light yellow liquid
Application trans-2-Hexenal is an unsaturated aldehyde that has an apple odour. trans-2-Hexenal is produced by soybean plants, and is also a sex pheromone produced by the female polyphemus moth.
Storage 2-8 °C
Complexity 64.6
Exact Mass 98.073164938
Monoisotopic Mass 98.073164938
References Corbo, M., et al.: J. Agr. Food Chem., 48, 2401 (2000); De Lucca, A., et al.: J. Food Sci., 76, M381 (2011); Riddiford, L.: Science, 158, 139 (1967)
Refractive Index n20/D 1.446(lit.)
Topological Polar Surface Area 17.1 Ų
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