cis-3-Hexenyl isobutyrate

Catalog	ACM41519237
CAS	41519-23-7
Structure
Synonyms	Cis-3-hexenylester
IUPAC Name	[(Z)-Hex-3-enyl] 2-methylpropanoate
Molecular Weight	170.25
Molecular Formula	C10H18O2
Canonical SMILES	CCC=CCCOC(=O)C(C)C
InChI	InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChI Key	OSMAJVWUIUORGC-WAYWQWQTSA-N
Boiling Point	92 °C/20 mmHg(lit.)
Melting Point	-89.9 °C
Flash Point	185 °F
Purity	95%
Density	0.878 g/mL at 25 °C(lit.)
Solubility	Insoluble in water, soluble in fats
Appearance	Liquid
Storage	Sealed in dry, room temperature
Exact Mass	170.130679813
Isomeric SMILES	CC/C=C\CCOC(=O)C(C)C
Monoisotopic Mass	170.130679813
Odor	Fruity, nutty aroma
Physical State	Liquid
Refractive Index	n20/D 1.428(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų