Isobutyl benzoate

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Catalog Number
ACM120503
Product Name
Isobutyl benzoate
Structure
Structure
CAS
120-50-3
Category
Heterocyclic Organic Compound
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
Density
0.996 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in organic solvents, oils
Appearance
Clear colorless liquid
Assay
0.98
Exact Mass
178.099379685
Monoisotopic Mass
178.099379685
Odor
Green, floral, leafy odor
Packaging
100 g
Physical State
Liquid
Refractive Index
n20/D 1.495(lit.)
Topological Polar Surface Area
26.3 Ų
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