1-Ethylhexyl tiglate

• CAS: 94133-92-3
• Catalog Number: ACM94133923
• Category: Other Products
• Molecular Weight: 212.33
• Molecular Formula: C₁₃H₂₄O₂
• Synonyms: (E)-2-Methyl-2-butenoic acid 1-ethylhexyl ester
• IUPAC Name: Octan-3-yl (E)-2-methylbut-2-enoate
• Canonical SMILES: CCCCCC(CC)OC(=O)C(=CC)C
• InChI: InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
• InChI Key: LMBAQNNBRWRROG-IZZDOVSWSA-N
• Boiling Point: 268 °C
• Flash Point: 210 °F
• Density: 0.882 g/mL at 25 °C(lit.)
• Solubility: Completely miscible with alcohol and diluted alcohol
• EC Number: 302-757-5
• Exact Mass: 212.177630004
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: CCCCCC(CC)OC(=O)/C(=C/C)/C
• Monoisotopic Mass: 212.177630004
• Refractive Index: n20/D 1.444(lit.)
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 3