Butyl valerate

Catalog	ACM591684
CAS	591-68-4
Structure
Synonyms	Valeric acid, butyl ester
IUPAC Name	Butyl pentanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CCCCC(=O)OCCCC
InChI	InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChI Key	OKJADYKTJJGKDX-UHFFFAOYSA-N
Boiling Point	186-187 °C
Melting Point	-92.8 °C
Flash Point	152 °F
Purity	98%+
Density	0.868 g/mL at 25 °C(lit.)
Solubility	Soluble in propylene glycol; slightly soluble in water
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Odor	Apple-raspberry odor
Physical State	Liquid
Refractive Index	n20/D 1.412(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų