Isobutyl salicylate

• Catalog Number: ACM87194
• Product Name: Isobutyl salicylate
• CAS: 87-19-4
• Category: Heterocyclic Organic Compound
• Description: Isobutyl salicylate is used as a reactant in the new boron(III)-catalyzed esterifications and amidations of carboxylic acids and Ritter addition reaction.
• Synonyms: Salicylic acid isobutyl
• IUPAC Name: 2-Methylpropyl 2-hydroxybenzoate
• Molecular Weight: 194.23
• Molecular Formula: C11H14O3
• Canonical SMILES: CC(C)COC(=O)C1=CC=CC=C1O
• InChI: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
• InChI Key: PTXDBYSCVQQBNF-UHFFFAOYSA-N
• Boiling Point: 267 °C
• Melting Point: 5.9 °C
• Flash Point: 230 °F
• Density: 1.064 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water, glycerol; soluble in organic solvents, oils
• Appearance: Colorless to pale yellow clear liquid (est)
• Assay: 0.99
• EC Number: 201-729-9
• Exact Mass: 194.094294304
• MDL Number: MFCD00020035
• Monoisotopic Mass: 194.094294304
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.509(lit.)
• Stability: Stable at normal temperatures and pressures.
• Storage Conditions: Keep tightly closed.
• Topological Polar Surface Area: 46.5 Ų