Phenethyl tiglate

CAS	55719-85-2
Synonyms	Phenethyl 2-methylcrotonate
IUPAC Name	2-Phenylethyl (E)-2-methylbut-2-enoate
Molecular Weight	204.26
Canonical SMILES	CC=C(C)C(=O)OCCC1=CC=CC=C1
InChI	InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
InChI Key	KVMWYGAYARXPOL-QDEBKDIKSA-N
Boiling Point	139-140 °C
Flash Point	>230 °F
Purity	90%+
Density	1.018 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	204.115029749
Isomeric SMILES	C/C=C(\C)/C(=O)OCCC1=CC=CC=C1
Monoisotopic Mass	204.115029749
Physical State	Slightly viscous liquid
Refractive Index	n20/D 1.514(lit.)
Topological Polar Surface Area	26.3 Ų