Benzyl isovalerate

• CAS: 103-38-8
• Catalog Number: ACM103388
• Category: Other Products
• Molecular Weight: 192.25
• Molecular Formula: C12H16O2
• Synonyms: Butanoic acid, 3-methyl-, phenylmethyl ester
• IUPAC Name: Benzyl 3-methylbutanoate
• Canonical SMILES: CC(C)CC(=O)OCC1=CC=CC=C1
• InChI: InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
• InChI Key: HVJKZICIMIWFCP-UHFFFAOYSA-N
• Boiling Point: 116 °C
• Flash Point: >230 °F
• Density: 0.988 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils
• Assay: 0.9999
• EC Number: 203-106-7
• Exact Mass: 192.115029749
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• MDL Number: MFCD00048348
• Monoisotopic Mass: 192.115029749
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.488(lit.)
• Safety Description: S24/25
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 2