| Catalog |
ACM94133923 |
| CAS |
94133-92-3 |
| Structure |  |
| Synonyms |
(E)-2-Methyl-2-butenoic acid 1-ethylhexyl ester |
| IUPAC Name |
Octan-3-yl (E)-2-methylbut-2-enoate |
| Molecular Weight |
212.33 |
| Molecular Formula |
C13H24O2 |
| 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 |
| Purity |
95%+ |
| Density |
0.882 g/mL at 25 °C(lit.) |
| Solubility |
Completely miscible with alcohol and diluted alcohol |
| Exact Mass |
212.177630004 |
| 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 |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.
