trans,trans,cis-1,5,9-Cyclododecatriene
- Product Nametrans,trans,cis-1,5,9-Cyclododecatriene
- CAS706-31-0
- CBNumberCB1728017
- MFC12H18
- MW162.27
- EINECS211-893-3
- MDL NumberMFCD00063609
- MOL File706-31-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | −18 °C(lit.) |
| Boiling point | 231 °C(lit.) |
| Density | 0.89 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 190 °F |
| storage temp. | 2-8°C |
| Water Solubility | Insoluble in water. |
| BRN | 1362442 |
| Henry's Law Constant | 1.8×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Dielectric constant | 2.4100000000000001 |
| InChI | 1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+ |
| InChIKey | ZOLLIQAKMYWTBR-RYMQXAEESA-N |
| SMILES | C1C\C=C\CC\C=C\CCC=C1 |
| CAS DataBase Reference | 706-31-0(CAS DataBase Reference) |
| FDA UNII | 7K92XVU2C2 |
| EPA Substance Registry System | 1,5,9-Cyclododecatriene, (1E,5E,9Z)- (706-31-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H331-H411 | |||||||||
| Precautionary statements | P273-P304+P340+P311 | |||||||||
| Hazard Codes | Xn,N | |||||||||
| Risk Statements | 20-51/53 | |||||||||
| Safety Statements | 61 | |||||||||
| RIDADR | UN 2518 6.1/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | GU2310000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects | |||||||||
| Hazard Classifications | Acute Tox. 3 Inhalation Aquatic Chronic 2 | |||||||||
| NFPA 704: |
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