Piperonyl isobutyrate

Catalog	ACM5461085
CAS	5461-08-5
Structure
Synonyms	2-Methylpropionic acid 1,3-benzodioxol-5-ylmethyl ester
IUPAC Name	1,3-Benzodioxol-5-ylmethyl 2-methylpropanoate
Molecular Weight	222.24
Molecular Formula	C12H14O4
Canonical SMILES	CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2
InChI	InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChI Key	RQULTIASPCVEFO-UHFFFAOYSA-N
Boiling Point	91-92 °C
Flash Point	>230 °F
Purity	95%+
Density	1.154 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Exact Mass	222.08920892
Monoisotopic Mass	222.08920892
Odor	Mild, fruity, berry-like odor
Physical State	Oily liquid
Refractive Index	n20/D 1.511(lit.)
Topological Polar Surface Area	44.8 Ų