Benzyl tiglate

• CAS: 37526-88-8
• Catalog Number: ACM37526888
• Category: Other Products
• Molecular Weight: 190.24
• Molecular Formula: C12H14O2
• Synonyms: (E)-2-Methyl-2-butenoic acid benzyl ester
• IUPAC Name: Benzyl (E)-2-methylbut-2-enoate
• Canonical SMILES: CC=C(C)C(=O)OCC1=CC=CC=C1
• InChI: InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
• InChI Key: QRGSTISKDZCDHV-XCVCLJGOSA-N
• Boiling Point: 139 °C
• Flash Point: >230 °F
• Density: 1.031 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in organic solvents, oils
• Appearance: Colorless clear liquid (est)
• Assay: 0.98
• EC Number: 253-544-8
• Exact Mass: 190.099379685
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: C/C=C(\C)/C(=O)OCC1=CC=CC=C1
• MDL Number: MFCD00017279
• Monoisotopic Mass: 190.099379685
• Odor: Mushroom odor with rosy undertone
• Packaging: 1 g
• Physical State: Liquid
• Refractive Index: n20/D 1.522(lit.)
• Safety Description: S26-S36
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 2