Ethyl trans-2-hexenoate

CAS	27829-72-7
Structure
Synonyms	2-Hexenoic acid, ethyl ester
IUPAC Name	Ethyl (E)-hex-2-enoate
Molecular Weight	142.2
Canonical SMILES	CCCC=CC(=O)OCC
InChI	InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChI Key	SJRXWMQZUAOMRJ-VOTSOKGWSA-N
Boiling Point	123-126 °C
Melting Point	−2 °C
Flash Point	>230 °F
Purity	98%+
Density	0.95 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; soluble in fats
Exact Mass	142.099379685
Isomeric SMILES	CCC/C=C/C(=O)OCC
Monoisotopic Mass	142.099379685
Odor	Fruity aroma
Physical State	Liquid
Refractive Index	n20/D 1.46(lit.)
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	26.3 Ų