Methyl (5Z)-octenoate

CAS	41654-15-3
Structure
Synonyms	(Z)-5-Octenoic acid methyl ester
IUPAC Name	Methyl (Z)-oct-5-enoate
Molecular Weight	156.22
Canonical SMILES	CCC=CCCCC(=O)OC
InChI	InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h4-5H,3,6-8H2,1-2H3/b5-4-
InChI Key	TUHAYWWWVLJJJM-PLNGDYQASA-N
Boiling Point	195 °C
Flash Point	73 °C
Purity	95%+
Density	0.896±0.06 g/cm³
Solubility	Soluble in fat; slightly soluble in water
Exact Mass	156.115029749
Isomeric SMILES	CC/C=C\CCCC(=O)OC
Monoisotopic Mass	156.115029749
Odor	Dairy, coconut aroma
Physical State	Liquid
Topological Polar Surface Area	26.3 Ų