1845-25-6

Name (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone
CAS 1845-25-6
Molecular Formula C10H16O2
MDL Number MFCD00040556
Molecular Weight 168.23
MOL File 1845-25-6.mol

Chemical Properties

Appearance White Solid
Melting point  36-38 °C (lit.)
Boiling point  245 °C (lit.)
density  1.059 g/mL at 25 °C(lit.)
refractive index  -33 ° (C=0.5, CHCl3)
Fp  224 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Ethyl Acetate, Methanol
form  Oil
pka 12.93±0.40(Predicted)
color  Clear Colorless
Optical Rotation [α]20/D 39°, c = 0.5 in chloroform
Usage A useful chiral auxillary for synthesis
BRN  3196635
InChI 1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
InChIKey VZRRCQOUNSHSGB-BYULHYEWSA-N
SMILES CC1(C)[C@H]2C[C@@H]1[C@](C)(O)C(=O)C2
CAS DataBase Reference 1845-25-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  2914.40.9000
Storage Class 13 - Non Combustible Solids

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