Isobutyl stearate

Catalog	ACM646139
CAS	646-13-9
Structure
Synonyms	Octadecanoic acid isobutyl ester
IUPAC Name	2-Methylpropyl octadecanoate
Molecular Weight	340.6
Molecular Formula	C22H44O2
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
InChI	InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
InChI Key	ORFWYUFLWUWSFM-UHFFFAOYSA-N
Boiling Point	381.5 °C
Melting Point	20 °C
Purity	95%+
Density	0.85 g/cm³ at 20 °C(lit.)
Solubility	Very soluble in ether
Exact Mass	340.334130642
Monoisotopic Mass	340.334130642
Physical State	Liquid
Refractive Index	n20/D 1.4365(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų