cis-3-Hexenyl 2-methylbutanoate

Catalog	ACM53398859
CAS	53398-85-9
Structure
Synonyms	Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
IUPAC Name	[(Z)-Hex-3-enyl] 2-methylbutanoate
Molecular Weight	184.27
Molecular Formula	C11H20O2
Canonical SMILES	CCC=CCCOC(=O)C(C)CC
InChI	InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChI Key	JKKGTSUICJWEKB-SREVYHEPSA-N
Boiling Point	228.24 °C
Melting Point	-58.7 °C
Flash Point	182 °F
Purity	99%
Density	0.878 g/mL at 25 °C(lit.)
Appearance	Colorless liquid
Exact Mass	184.146329876
Isomeric SMILES	CC/C=C\CCOC(=O)C(C)CC
Monoisotopic Mass	184.146329876
Physical State	Liquid
Refractive Index	n20/D 1.432(lit.)
Storage Conditions	Dry place,2-8 °C
Topological Polar Surface Area	26.3 Ų