Methyl caprylate

Catalog	ACM111115-1
CAS	111-11-5
Structure
Synonyms	Caprylic acid methyl ester
IUPAC Name	Methyl octanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CCCCCCCC(=O)OC
InChI	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChI Key	JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Boiling Point	79 °C
Melting Point	-40 °C
Flash Point	163 °F
Purity	98%+
Density	0.878g/ml
Solubility	Insoluble in water
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.418(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų