Catalog |
ACM105908 |
CAS |
105-90-8 |
Structure | |
Synonyms |
2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate |
IUPAC Name |
[(2E)-3,7-Dimethylocta-2,6-dienyl] propanoate |
Molecular Weight |
210.31 |
Molecular Formula |
C13H22O2 |
Canonical SMILES |
CCC(=O)OCC=C(C)CCC=C(C)C |
InChI |
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+ |
InChI Key |
BYCHQEILESTMQU-FMIVXFBMSA-N |
Boiling Point |
252 °C |
Flash Point |
>230 °F |
Purity |
99% |
Density |
0.899 g/mL at 25 °C(lit.) |
Solubility |
Soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol |
Exact Mass |
210.16197994 |
Isomeric SMILES |
CCC(=O)OC/C=C(\C)/CCC=C(C)C |
Monoisotopic Mass |
210.16197994 |
Physical State |
Liquid |
Refractive Index |
n20/D 1.456(lit.) |
Topological Polar Surface Area |
26.3 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.