13552-80-2
| Name | TRIUNDECANOIN |
| CAS | 13552-80-2 |
| EINECS(EC#) | 236-935-8 |
| Molecular Formula | C36H68O6 |
| MDL Number | MFCD00042869 |
| Molecular Weight | 596.92 |
| MOL File | 13552-80-2.mol |
Chemical Properties
| Appearance | white tacky mass |
| Melting point | 24-32 °C |
| Boiling point | 611.6±22.0 °C(Predicted) |
| density | 0.942±0.06 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White Waxy to Low-Melting |
| biological source | synthetic |
| BRN | 1810343 |
| Cosmetics Ingredients Functions | SKIN CONDITIONING HAIR CONDITIONING |
| InChI | InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3 |
| InChIKey | MBXVIRZWSHICAV-UHFFFAOYSA-N |
| SMILES | C(OC(=O)CCCCCCCCCC)C(OC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCC |
| LogP | 13.972 (est) |
| EPA Substance Registry System | Undecanoic acid, 1,2,3-propanetriyl ester (13552-80-2) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | YQ2581000 |
| TSCA | TSCA listed |
| HS Code | 29157090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |