Heptyl butyrate

Catalog	ACM5870939
CAS	5870-93-9
Structure
Synonyms	Butanoic acid, heptyl ester
IUPAC Name	Heptyl butanoate
Molecular Weight	186.29
Molecular Formula	C11H22O2
Canonical SMILES	CCCCCCCOC(=O)CCC
InChI	InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChI Key	JPQHLIYIQARLQM-UHFFFAOYSA-N
Boiling Point	225-226 °C
Melting Point	-58 °C
Flash Point	195 °F
Purity	98%+
Density	0.864 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, propylene glycol; insoluble in water
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Odor	Camomile odor
Physical State	Liquid
Refractive Index	n20/D 1.4215(lit.)
Topological Polar Surface Area	26.3 Ų