Butyl Levulinate

Catalog	ACM2052155
CAS	2052-15-5
Structure
Synonyms	4-Oxo-pentanoic acid butyl ester
IUPAC Name	Butyl 4-oxopentanoate
Molecular Weight	172.22
Molecular Formula	C9H16O3
Canonical SMILES	CCCCOC(=O)CCC(=O)C
InChI	InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChI Key	ISBWNEKJSSLXOD-UHFFFAOYSA-N
Boiling Point	106-108 °C
Flash Point	197 °F
Purity	95%+
Density	0.974 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water
Exact Mass	172.109944368
Monoisotopic Mass	172.109944368
Physical State	Liquid
Refractive Index	n20/D 1.427(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	43.4 Ų