Ethyl Trans-4-Decenoate

Catalog	ACM76649166
CAS	76649-16-6
Structure
Synonyms	Ethyl 4-decenoate
IUPAC Name	Ethyl (E)-dec-4-enoate
Molecular Weight	198.3
Molecular Formula	C12H22O2
Canonical SMILES	CCCCCC=CCCC(=O)OCC
InChI	InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChI Key	AWNIQMQADACLCJ-CMDGGOBGSA-N
Boiling Point	236.8±9.0 °C
Flash Point	110 °C
Purity	95%+
Density	0.88 g/mL at 25 °C(lit.)
Exact Mass	198.16197994
Isomeric SMILES	CCCCC/C=C/CCC(=O)OCC
Monoisotopic Mass	198.16197994
Refractive Index	n20/D 1.4370(lit.)
Topological Polar Surface Area	26.3 Ų