Isopentyl benzoate

• CAS: 94-46-2
• Catalog Number: ACM94462
• Category: Other Products
• Molecular Weight: 192.25
• Molecular Formula: C₁₂H₁₆O₂
• Synonyms: 2-Dimethylaminoethylbenzoate
• IUPAC Name: 3-Methylbutyl benzoate
• Canonical SMILES: CC(C)CCOC(=O)C1=CC=CC=C1
• InChI: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
• InChI Key: MLLAPOCBLWUFAP-UHFFFAOYSA-N
• Boiling Point: 261-262 °C
• Flash Point: >230 °F
• Density: 0.99 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in organic solvents, oils
• Appearance: colorless to light yellow liquid
• Exact Mass: 192.115029749
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Monoisotopic Mass: 192.115029749
• Physical State: Oily liquid
• Refractive Index: n20/D 1.494(lit.)
• Safety Description: S24/25
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 2