cis-3-Hexenyl tiglate

Catalog	ACM67883798
CAS	67883-79-8
Structure
Synonyms	(Z)-3-Hexenyl 2-methylcrotonate
IUPAC Name	[(Z)-Hex-3-enyl] (E)-2-methylbut-2-enoate
Molecular Weight	182.26
Molecular Formula	C11H18O2
Canonical SMILES	CCC=CCCOC(=O)C(=CC)C
InChI	InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
InChI Key	JNWQKXUWZWKUAY-JQEGGOPCSA-N
Boiling Point	105 °C
Flash Point	204 °F
Purity	98%+
Density	0.951 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in fats
Appearance	Pale to faint yellow liquid; fresh green, floral aroma
Exact Mass	182.130679813
Isomeric SMILES	CC/C=C\CCOC(=O)/C(=C/C)/C
Monoisotopic Mass	182.130679813
Odor	Fresh green, floral aroma
Physical State	Liquid
Refractive Index	n20/D 1.46(lit.)
Topological Polar Surface Area	26.3 Ų