(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
- Product Name(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
- CAS125971-94-0
- CBNumberCB6327897
- MFC14H23NO4
- MW269.34
- EINECS425-780-3
- MDL NumberMFCD03093958
- MOL File125971-94-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 65-69 °C(lit.) |
| Boiling point | 364.1±17.0 °C(Predicted) |
| Density | 1.016±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Chloroform |
| form | powder to crystal |
| color | White to Almost white |
| optical activity | [α]20/D 1.0°, c = 1 in chloroform |
| InChI | InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1 |
| InChIKey | DPNRMEJBKMQHMC-GHMZBOCLSA-N |
| SMILES | O1[C@H](CC#N)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C |
| CAS DataBase Reference | 125971-94-0(CAS DataBase Reference) |
| FDA UNII | UW4BC1SFB0 |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H315-H319 | |||||||||
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29329990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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