2-Ethyl-2-hexenal

CAS	645-62-5
Structure
Synonyms	3-Formylhept-3-ene
IUPAC Name	(E)-2-Ethylhex-2-enal
Molecular Weight	126.2
Canonical SMILES	CCCC=C(CC)C=O
InChI	InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
InChI Key	PYLMCYQHBRSDND-SOFGYWHQSA-N
Boiling Point	175 °C
Melting Point	3.5 °C
Flash Point	68 °C
Purity	95%+
Density	0,85 g/cm³
Solubility	Soluble in water
Exact Mass	126.104465066
Isomeric SMILES	CCC/C=C(\CC)/C=O
Monoisotopic Mass	126.104465066
Physical State	Liquid
Refractive Index	n20/D 1.449-1.453(lit.)
Topological Polar Surface Area	17.1 Ų