Benzyl tiglate

Catalog	ACM37526888
CAS	37526-88-8
Structure
Synonyms	(E)-2-Methyl-2-butenoic acid benzyl ester
IUPAC Name	Benzyl (E)-2-methylbut-2-enoate
Molecular Weight	190.24
Molecular Formula	C12H14O2
Canonical SMILES	CC=C(C)C(=O)OCC1=CC=CC=C1
InChI	InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChI Key	QRGSTISKDZCDHV-XCVCLJGOSA-N
Boiling Point	139 °C
Flash Point	>230 °F
Purity	95%+
Density	1.031 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Appearance	Colorless clear liquid (est)
Exact Mass	190.099379685
Isomeric SMILES	C/C=C(\C)/C(=O)OCC1=CC=CC=C1
Monoisotopic Mass	190.099379685
Odor	Mushroom odor with rosy undertone
Physical State	Liquid
Refractive Index	n20/D 1.522(lit.)
Topological Polar Surface Area	26.3 Ų