53716-82-8

Name (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one
CAS 53716-82-8
EINECS(EC#) 807-130-4
Molecular Formula C6H8O3
MDL Number MFCD23105760
Molecular Weight 128.13
MOL File 53716-82-8.mol

Chemical Properties

Melting point  -18 °C
Boiling point  231.6±30.0 °C(Predicted)
density  1.261±0.06 g/cm3(Predicted)
vapor pressure  28Pa at 25℃
storage temp.  Refrigerator, under inert atmosphere
solubility  Chloroform (Slightly), Ethyl Acetate (Sparingly)
form  Oil
color  Light Yellow
InChI 1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1
InChIKey WHIRALQRTSITMI-UJURSFKZSA-N
SMILES O1[C@H]2OC[C@@H]1CCC2=O
LogP -1.52 at 22℃ and pH5.18-5.24
Surface tension 72.5mN/m at 1g/L and 22℃

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
WGK Germany  WGK 1
REACH Registrations Active
HS Code  2934999090
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2

Hazard Information

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