Methyl 2-hexenoate

Catalog	ACM2396772-1
CAS	2396-77-2
Structure
Synonyms	2-Hexenoic acid methyl ester
IUPAC Name	Methyl (E)-hex-2-enoate
Molecular Weight	128.17
Canonical SMILES	CCCC=CC(=O)OC
InChI	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
InChI Key	GFUGBRNILVVWIE-AATRIKPKSA-N
Boiling Point	56-58 °C
Melting Point	32 °C
Flash Point	45 °C
Purity	98%+
Density	0.907±0.06 g/cm³
Solubility	Very slightly soluble in water; soluble in oils
Exact Mass	128.083729621
Isomeric SMILES	CCC/C=C/C(=O)OC
Monoisotopic Mass	128.083729621
Odor	Fruity aroma
Physical State	Liquid
Refractive Index	n20/D 1.433(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų