125971-94-0

Name (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
CAS 125971-94-0
EINECS(EC#) 425-780-3
Molecular Formula C14H23NO4
MDL Number MFCD03093958
Molecular Weight 269.34
MOL File 125971-94-0.mol

Chemical Properties

Appearance white to light yellow crystal powde
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 Rotation [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)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
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 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

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