Specification
Synonyms
Tiglic acid, ethyl ester
IUPAC Name
Ethyl (E)-2-methylbut-2-enoate
Canonical SMILES
CCOC(=O)C(=CC)C
InChI
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
InChI Key
OAPHLAAOJMTMLY-GQCTYLIASA-N
Density
0.923 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in oils
Isomeric SMILES
CCOC(=O)/C(=C/C)/C
Monoisotopic Mass
128.083729621
Odor
Warm-ethereal fruity aroma
Refractive Index
n20/D 1.435(lit.)
Topological Polar Surface Area
26.3 Ų