Isobutyl benzoate

Catalog	ACM120503
CAS	120-50-3
Structure
Synonyms	Benzoic acid isobutyl
IUPAC Name	2-Methylpropyl benzoate
Molecular Weight	178.23
Molecular Formula	C11H14O2
Canonical SMILES	CC(C)COC(=O)C1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key	KYZHGEFMXZOSJN-UHFFFAOYSA-N
Boiling Point	241-242 °C
Flash Point	205 °F
Purity	95%+
Density	0.996 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Appearance	Clear colorless liquid
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Odor	Green, floral, leafy odor
Physical State	Liquid
Refractive Index	n20/D 1.495(lit.)
Topological Polar Surface Area	26.3 Ų