Zingerone

Catalog	ACM122485
CAS	122-48-5
Structure
Synonyms	Vanillylacetone
IUPAC Name	4-(4-Hydroxy-3-methoxyphenyl)butan-2-one
Molecular Weight	194.23
Molecular Formula	C11H14O3
Canonical SMILES	CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI	InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
InChI Key	OJYLAHXKWMRDGS-UHFFFAOYSA-N
Boiling Point	141 °C
Melting Point	40-41 °C
Flash Point	>230 °F
Purity	98%+
Density	1.14 g/mL at 25 °C(lit.)
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Physical State	Crystalline powder
Refractive Index	n20/D 1.541(lit.)
Storage Conditions	Dry place,2-8 °C
Topological Polar Surface Area	46.5 Ų