CAS |
94-48-4 |
Structure | |
Synonyms |
2,4,5-Trimethylaniline |
IUPAC Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] benzoate |
Molecular Weight |
258.35 |
Canonical SMILES |
CC(=CCCC(=CCOC(=O)C1=CC=CC=C1)C)C |
InChI |
InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+ |
InChI Key |
YDVXYTIIPGKIJP-NTCAYCPXSA-N |
Boiling Point |
305 °C |
Flash Point |
>230 °F |
Purity |
95%+ |
Density |
0.996 g/mL at 25 °C(lit.) |
Solubility |
Insoluble in water; soluble in organic solvents, oils |
Exact Mass |
258.16197994 |
Isomeric SMILES |
CC(=CCC/C(=C/COC(=O)C1=CC=CC=C1)/C)C |
Monoisotopic Mass |
258.16197994 |
Odor |
Mild, floral odor |
Physical State |
Liquid |
Refractive Index |
n20/D 1.517(lit.) |
Topological Polar Surface Area |
26.3 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.