HuagongsheHuagongshe Chemistry Print Report · For research reference only
(Z,Z)-11,13-Hexadecadienal
11Z13Z-16CHO · Z,Z,E-7,11,13-Hexadecatrienal · 7Z11Z13E-16CHO · hexadeca-11,13-dienal · Nowtechnicalpheromone · (Z,Z)-11,13-Hexadecadienal · 11,13-Hexadecadienal, (Z,Z)- · (11Z,13Z)-11,13-Hexadecadienal
Identifiers & Physical Properties
| CAS No. | 71317-73-2 |
|---|---|
| Molecular formula | C16H28O |
| Average molar mass | 236.39 g/mol |
| Monoisotopic mass | 236.21401552 g/mol |
| SMILES | CC/C=C\C=C/CCCCCCCCCC=O |
| InChIKey | ZTJGMVSDMQAJPE-OUPQRBNQSA-N |
| PubChem CID | 6436739 |
| ChEBI | CHEBI:196160 |
| DTXSID | DTXSID6035312 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 12 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 204 |
| Lipids | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| Boiling point | 332.7±11.0 °C(Predicted) |
| Density | 0.852±0.06 g/cm3 (20 ºC 760 Torr) |
| Refractive index | 1.4768 (589.3 nm 26℃) |
| InChI | InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5- |
| InChIKey | ZTJGMVSDMQAJPE-OUPQRBNQSA-N |
| SMILES | C(=O)CCCCCCCCC/C=C\C=C/CC |
| LogP (partition coefficient) | 6.246 (est) |
| FDA UNII | PO1L379F0X |
| EPA Substance Registry System | (Z,Z)-11,13-Hexadecadienal (71317-73-2) |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|
Applications & Uses
Description
(Z,Z)-11,13-Hexadecadienal is a major component of the navel orange worm (Pamyelois transitella) pheromone.