TRIUNDECANOIN
- Product NameTRIUNDECANOIN
- CAS13552-80-2
- CBNumberCB8470452
- MFC36H68O6
- MW596.92
- EINECS236-935-8
- MDL NumberMFCD00042869
- MOL File13552-80-2.mol
- MSDS FileSDS
Chemical Properties
| 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 |
| 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) |
| EWG's Food Scores | 1 |
| FDA UNII | ZTT041BJ4O |
| EPA Substance Registry System | Undecanoic acid, 1,2,3-propanetriyl ester (13552-80-2) |
| UNSPSC Code | 12352211 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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